N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine

C21H32N2 — CID 129215539

IUPACN-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine
SMILES[H]/N=C(/CCC(C)CCc1ccccc1)C(=C)NCC1CCCC1
InChIInChI=1S/C21H32N2/c1-17(12-14-19-8-4-3-5-9-19)13-15-21(22)18(2)23-16-20-10-6-7-11-20/h3-5,8-9,17,20,22-23H,2,6-7,10-16H2,1H3/b22-21-
InChIKeySZQVOGXRLRIGBZ-DQRAZIAOSA-N
MW312.50 g/mol
LogP5.35
Rot. Bonds10

About N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine

N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine (PubChem CID 129215539) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine
PubChem CID129215539
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC NameN-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine
SMILES[H]/N=C(/CCC(C)CCc1ccccc1)C(=C)NCC1CCCC1
InChIInChI=1S/C21H32N2/c1-17(12-14-19-8-4-3-5-9-19)13-15-21(22)18(2)23-16-20-10-6-7-11-20/h3-5,8-9,17,20,22-23H,2,6-7,10-16H2,1H3/b22-21-
InChIKeySZQVOGXRLRIGBZ-DQRAZIAOSA-N
XLogP5.35
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine (CID 129215539) is N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine is [H]/N=C(/CCC(C)CCc1ccccc1)C(=C)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine?
The InChIKey is SZQVOGXRLRIGBZ-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H32N2/c1-17(12-14-19-8-4-3-5-9-19)13-15-21(22)18(2)23-16-20-10-6-7-11-20/h3-5,8-9,17,20,22-23H,2,6-7,10-16H2,1H3/b22-21-.
What are the key properties of N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine?
N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine has a molecular weight of 312.50 g/mol, XLogP of 5.35, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-imino-6-methyl-8-phenyloct-1-en-2-amine is sourced from PubChem (CID 129215539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).