butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine

C17H26N4 — CID 174793752

IUPACbutane-1,2,2-triamine;1,2,3,4-tetrahydroacridine
SMILESCCC(N)(N)CN.c1ccc2nc3c(cc2c1)CCCC3
InChIInChI=1S/C13H13N.C4H13N3/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-4(6,7)3-5/h1,3,5,7,9H,2,4,6,8H2;2-3,5-7H2,1H3
InChIKeyPAGONULAXVFXBY-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.08
Rot. Bonds2

About butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine

butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine (PubChem CID 174793752) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Namebutane-1,2,2-triamine;1,2,3,4-tetrahydroacridine
PubChem CID174793752
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Namebutane-1,2,2-triamine;1,2,3,4-tetrahydroacridine
SMILESCCC(N)(N)CN.c1ccc2nc3c(cc2c1)CCCC3
InChIInChI=1S/C13H13N.C4H13N3/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-4(6,7)3-5/h1,3,5,7,9H,2,4,6,8H2;2-3,5-7H2,1H3
InChIKeyPAGONULAXVFXBY-UHFFFAOYSA-N
XLogP2.08
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine
CID 117030156
5,6,7,8-tetrahydroacridine-2-carboxamide
CID 155319967
2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 64550319
1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 15322530
7-(dichloromethyl)-1,2,3,4-tetrahydroacridine
CID 150632643
6-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 14361563
methane;1,2,3,4-tetrahydroanthracene
CID 158805495
1,2,3,4-tetrahydropyridazino[4,5-b]quinoline
CID 54424322
2-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)propan-2-amine
CID 82452293
2-[methyl(2-methylbutan-2-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63958272
1-octyl-1,2,3,4-tetrahydroacridine
CID 54330566
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 65485060

Frequently Asked Questions

What is the IUPAC name of butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine?
The IUPAC name of butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine (CID 174793752) is butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine.
What is the SMILES notation for butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine?
The canonical SMILES for butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine is CCC(N)(N)CN.c1ccc2nc3c(cc2c1)CCCC3.
What is the InChIKey of butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine?
The InChIKey is PAGONULAXVFXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C4H13N3/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-4(6,7)3-5/h1,3,5,7,9H,2,4,6,8H2;2-3,5-7H2,1H3.
What are the key properties of butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine?
butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine has a molecular weight of 286.42 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 174793752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).