11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine

C16H22N2 — CID 167309089

IUPAC11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine
SMILESCN1Cc2cc(N)cc3c2C(CCC3)C2(CC2)C1
InChIInChI=1S/C16H22N2/c1-18-9-12-8-13(17)7-11-3-2-4-14(15(11)12)16(10-18)5-6-16/h7-8,14H,2-6,9-10,17H2,1H3
InChIKeyZDVHSVKERRCRRD-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.91
Rot. Bonds

About 11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine

11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine (PubChem CID 167309089) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine.

Molecular Properties

Compound Name11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine
PubChem CID167309089
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine
SMILESCN1Cc2cc(N)cc3c2C(CCC3)C2(CC2)C1
InChIInChI=1S/C16H22N2/c1-18-9-12-8-13(17)7-11-3-2-4-14(15(11)12)16(10-18)5-6-16/h7-8,14H,2-6,9-10,17H2,1H3
InChIKeyZDVHSVKERRCRRD-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9,9-difluoro-2-methyl-3,7,8,9a-tetrahydro-1H-benzo[de]isoquinolin-5-amine
CID 167309269
(9aR)-2-propan-2-yl-1,3,7,8,9,9a-hexahydrobenzo[de]isoquinolin-5-amine
CID 167309199
(9aS)-2-methylspiro[7,8,9,9a-tetrahydro-1H-benzo[de]isoquinoline-3,1'-cyclopropane]-5-amine
CID 167309321
2-methyl-1,3,3a,4,5,6-hexahydrobenzo[de]isoquinoline-4,8-diamine
CID 167309208
(9aR)-2,7,7-trimethyl-3,8,9,9a-tetrahydro-1H-benzo[de]isoquinolin-5-amine
CID 167309276
8-[(3aS)-8-amino-1,2-dimethyl-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-yl]-2-methylspiro[7,8,9,9a-tetrahydro-3H-benzo[de]isoquinoline-1,1'-cyclopropane]-5-amine
CID 167309322
(3aS)-8-tert-butyl-2-methylspiro[3,3a,5,6-tetrahydro-1H-benzo[de]isoquinoline-4,1'-cyclopropane]
CID 171605723
(9aR)-2-methylspiro[3,7,9,9a-tetrahydro-1H-benzo[de]isoquinoline-8,1'-cyclopropane]-5-amine
CID 167309314
(9aS)-8,8-difluoro-2-methyl-3,7,9,9a-tetrahydro-1H-benzo[de]isoquinolin-5-amine
CID 167309329
8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 130044107
1-(11-amino-7-methyl-3,7-diazatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-3-yl)ethanone
CID 167308820
8-tert-butyl-3,3-dideuterio-2-methyl-3a,4,5,6-tetrahydro-1H-benzo[de]isoquinoline
CID 171605858

Frequently Asked Questions

What is the IUPAC name of 11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine?
The IUPAC name of 11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine (CID 167309089) is 11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine.
What is the SMILES notation for 11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine?
The canonical SMILES for 11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine is CN1Cc2cc(N)cc3c2C(CCC3)C2(CC2)C1.
What is the InChIKey of 11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine?
The InChIKey is ZDVHSVKERRCRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-18-9-12-8-13(17)7-11-3-2-4-14(15(11)12)16(10-18)5-6-16/h7-8,14H,2-6,9-10,17H2,1H3.
What are the key properties of 11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine?
11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine has a molecular weight of 242.37 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylspiro[11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene-13,1'-cyclopropane]-7-amine is sourced from PubChem (CID 167309089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).