4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine

C16H31N — CID 164997693

IUPAC4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine
SMILESCCCN(CCC)C1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H31N/c1-6-12-17(13-7-2)15-10-8-14(9-11-15)16(3,4)5/h8,15H,6-7,9-13H2,1-5H3
InChIKeyVNEFUKOCGUDAIO-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.63
Rot. Bonds5

About 4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine

4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine (PubChem CID 164997693) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine
PubChem CID164997693
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine
SMILESCCCN(CCC)C1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H31N/c1-6-12-17(13-7-2)15-10-8-14(9-11-15)16(3,4)5/h8,15H,6-7,9-13H2,1-5H3
InChIKeyVNEFUKOCGUDAIO-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohex-3-en-1-amine
CID 167068206
(1S)-4-tert-butyl-N-propylcyclohex-3-en-1-amine
CID 165018012
N,N-dipropyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine
CID 57305707
ethane;2-[2-hydroxyethyl-(4-methylcyclohex-3-en-1-yl)amino]ethanol
CID 177317246
1-tert-butyl-4-(4-tert-butylcyclohex-3-en-1-yl)benzene
CID 59509523
N,N-dipropylcyclodecanamine
CID 139723962
3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one
CID 79644095
[(1S)-4-tert-butylcyclohex-3-en-1-yl] formate
CID 135271345
2-bromo-4-(dipropylamino)cyclohexan-1-one
CID 70449714
3-[ethyl(propyl)amino]cyclopentan-1-one
CID 79642682
7-N-ethyl-2-N,2-N-dipropyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 14798947
N,N-dipropyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15908435

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine?
The IUPAC name of 4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine (CID 164997693) is 4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine.
What is the SMILES notation for 4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine?
The canonical SMILES for 4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine is CCCN(CCC)C1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine?
The InChIKey is VNEFUKOCGUDAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-6-12-17(13-7-2)15-10-8-14(9-11-15)16(3,4)5/h8,15H,6-7,9-13H2,1-5H3.
What are the key properties of 4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine?
4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine is sourced from PubChem (CID 164997693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).