(1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane

C12H27N3 — CID 145278417

IUPAC(1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane
SMILESCC.CC1CCCCC/C(N(C)N)=C\1N
InChIInChI=1S/C10H21N3.C2H6/c1-8-6-4-3-5-7-9(10(8)11)13(2)12;1-2/h8H,3-7,11-12H2,1-2H3;1-2H3/b10-9-;
InChIKeyPMWRZMMSVRHEAD-KVVVOXFISA-N
MW213.37 g/mol
LogP2.59
Rot. Bonds1

About (1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane

(1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane (PubChem CID 145278417) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is (1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane.

Molecular Properties

Compound Name(1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane
PubChem CID145278417
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name(1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane
SMILESCC.CC1CCCCC/C(N(C)N)=C\1N
InChIInChI=1S/C10H21N3.C2H6/c1-8-6-4-3-5-7-9(10(8)11)13(2)12;1-2/h8H,3-7,11-12H2,1-2H3;1-2H3/b10-9-;
InChIKeyPMWRZMMSVRHEAD-KVVVOXFISA-N
XLogP2.59
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane
CID 145278390
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
CID 145278392
(1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine
CID 146507775
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
CID 153352608
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine
CID 170135743
(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine
CID 145278391
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine
CID 145278393
(4Z)-5-[amino(methyl)amino]-9-methylbicyclo[6.1.0]non-4-en-4-amine
CID 126707591
(1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine
CID 130256645
(1S,4Z,8R,9R)-5-[amino(methyl)amino]-9-methylbicyclo[6.1.0]non-4-en-4-amine
CID 132099508
(7R)-6,12,14-trimethyl-12,13,14-triazatricyclo[9.3.0.05,7]tetradec-1(11)-ene
CID 134313188
(1Z)-2-[amino(methyl)amino]cycloocten-1-amine
CID 134360838

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane?
The IUPAC name of (1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane (CID 145278417) is (1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane.
What is the SMILES notation for (1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane?
The canonical SMILES for (1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane is CC.CC1CCCCC/C(N(C)N)=C\1N.
What is the InChIKey of (1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane?
The InChIKey is PMWRZMMSVRHEAD-KVVVOXFISA-N. The full InChI is InChI=1S/C10H21N3.C2H6/c1-8-6-4-3-5-7-9(10(8)11)13(2)12;1-2/h8H,3-7,11-12H2,1-2H3;1-2H3/b10-9-;.
What are the key properties of (1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane?
(1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane has a molecular weight of 213.37 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane is sourced from PubChem (CID 145278417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).