N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine

C16H29NO — CID 43081150

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine
SMILESC1=CCC(CNCCCOC2CCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-3-8-15(9-4-1)14-17-12-7-13-18-16-10-5-2-6-11-16/h1,3,15-17H,2,4-14H2
InChIKeyZMLVBEGUUPZEQX-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds7

About N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine (PubChem CID 43081150) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine
PubChem CID43081150
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine
SMILESC1=CCC(CNCCCOC2CCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-3-8-15(9-4-1)14-17-12-7-13-18-16-10-5-2-6-11-16/h1,3,15-17H,2,4-14H2
InChIKeyZMLVBEGUUPZEQX-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
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 N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine (CID 43081150) is N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine is C1=CCC(CNCCCOC2CCCCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine?
The InChIKey is ZMLVBEGUUPZEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-8-15(9-4-1)14-17-12-7-13-18-16-10-5-2-6-11-16/h1,3,15-17H,2,4-14H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine is sourced from PubChem (CID 43081150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).