1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine

C15H30N2 — CID 113465530

IUPAC1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine
SMILESC=CCCNC1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C15H30N2/c1-4-5-11-17-15(12-16)9-6-7-14(8-10-15)13(2)3/h4,13-14,17H,1,5-12,16H2,2-3H3
InChIKeyNNGCMDWUELLGNV-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.09
Rot. Bonds6

About 1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine

1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine (PubChem CID 113465530) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine
PubChem CID113465530
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine
SMILESC=CCCNC1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C15H30N2/c1-4-5-11-17-15(12-16)9-6-7-14(8-10-15)13(2)3/h4,13-14,17H,1,5-12,16H2,2-3H3
InChIKeyNNGCMDWUELLGNV-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine (CID 113465530) is 1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine is C=CCCNC1(CN)CCCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is NNGCMDWUELLGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-5-11-17-15(12-16)9-6-7-14(8-10-15)13(2)3/h4,13-14,17H,1,5-12,16H2,2-3H3.
What are the key properties of 1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine?
1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 113465530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).