1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

C15H30N2 — CID 106653542

IUPAC1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)C1=CCCCCC1
InChIInChI=1S/C15H30N2/c1-5-17(6-2)15(3,4)14(16)13-11-9-7-8-10-12-13/h11,14H,5-10,12,16H2,1-4H3
InChIKeyGDZDDPZCMGRVPC-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.32
Rot. Bonds5

About 1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (PubChem CID 106653542) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
PubChem CID106653542
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)C1=CCCCCC1
InChIInChI=1S/C15H30N2/c1-5-17(6-2)15(3,4)14(16)13-11-9-7-8-10-12-13/h11,14H,5-10,12,16H2,1-4H3
InChIKeyGDZDDPZCMGRVPC-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106653532
1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106653620
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
[1-(cyclohepten-1-yl)-2,2-dimethylpropyl]hydrazine
CID 106648666
1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106653676
1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657502
1-(cyclohepten-1-yl)-2,2-diethoxyethanamine
CID 106653819
1-[(1S,2R)-1-tert-butyl-2-(cyclohexen-1-yl)-3,3-dimethylbutyl]cyclohexene
CID 6432601
1-[(3R,4R)-4-(cyclohexen-1-yl)-2,2,5,5-tetramethylhexan-3-yl]cyclohexene
CID 11141195
1-(cycloocten-1-yl)-2-ethoxybutan-1-amine
CID 106654440
1-(cyclohepten-1-yl)heptan-1-amine
CID 114752507

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (CID 106653542) is 1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is CCN(CC)C(C)(C)C(N)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The InChIKey is GDZDDPZCMGRVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-17(6-2)15(3,4)14(16)13-11-9-7-8-10-12-13/h11,14H,5-10,12,16H2,1-4H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 106653542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).