1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine

C18H34N2 — CID 143064783

IUPAC1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine
SMILESC=C(CC)C(N)(CCC1CCCCC1)CC1CCNC1
InChIInChI=1S/C18H34N2/c1-3-15(2)18(19,13-17-10-12-20-14-17)11-9-16-7-5-4-6-8-16/h16-17,20H,2-14,19H2,1H3
InChIKeyUGSPTMDZIPCOSH-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.01
Rot. Bonds7

About 1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine

1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine (PubChem CID 143064783) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine
PubChem CID143064783
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine
SMILESC=C(CC)C(N)(CCC1CCCCC1)CC1CCNC1
InChIInChI=1S/C18H34N2/c1-3-15(2)18(19,13-17-10-12-20-14-17)11-9-16-7-5-4-6-8-16/h16-17,20H,2-14,19H2,1H3
InChIKeyUGSPTMDZIPCOSH-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine?
The IUPAC name of 1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine (CID 143064783) is 1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine.
What is the SMILES notation for 1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine?
The canonical SMILES for 1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine is C=C(CC)C(N)(CCC1CCCCC1)CC1CCNC1.
What is the InChIKey of 1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine?
The InChIKey is UGSPTMDZIPCOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-3-15(2)18(19,13-17-10-12-20-14-17)11-9-16-7-5-4-6-8-16/h16-17,20H,2-14,19H2,1H3.
What are the key properties of 1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine?
1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine has a molecular weight of 278.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylidene-3-(pyrrolidin-3-ylmethyl)hexan-3-amine is sourced from PubChem (CID 143064783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).