4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine

C16H29N — CID 4711892

IUPAC4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCNC1(CC=C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H29N/c1-6-10-16(17-13-7-2)11-8-14(9-12-16)15(3,4)5/h6-7,14,17H,1-2,8-13H2,3-5H3
InChIKeyFQVRGZYGUAXCKZ-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.31
Rot. Bonds5

About 4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine

4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine (PubChem CID 4711892) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine
PubChem CID4711892
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCNC1(CC=C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H29N/c1-6-10-16(17-13-7-2)11-8-14(9-12-16)15(3,4)5/h6-7,14,17H,1-2,8-13H2,3-5H3
InChIKeyFQVRGZYGUAXCKZ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine (CID 4711892) is 4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine is C=CCNC1(CC=C)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine?
The InChIKey is FQVRGZYGUAXCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-6-10-16(17-13-7-2)11-8-14(9-12-16)15(3,4)5/h6-7,14,17H,1-2,8-13H2,3-5H3.
What are the key properties of 4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine?
4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 4711892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).