N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine

C16H27N — CID 67826628

IUPACN-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine
SMILESC=CCN(CC=C)CC1=C(C)CCCC1(C)C
InChIInChI=1S/C16H27N/c1-6-11-17(12-7-2)13-15-14(3)9-8-10-16(15,4)5/h6-7H,1-2,8-13H2,3-5H3
InChIKeyBRZCPFCUUUUZNK-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.19
Rot. Bonds6

About N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine

N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine (PubChem CID 67826628) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine
PubChem CID67826628
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine
SMILESC=CCN(CC=C)CC1=C(C)CCCC1(C)C
InChIInChI=1S/C16H27N/c1-6-11-17(12-7-2)13-15-14(3)9-8-10-16(15,4)5/h6-7H,1-2,8-13H2,3-5H3
InChIKeyBRZCPFCUUUUZNK-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine with MolForge

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Related Compounds

3-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7-hexahydroinden-4-yl]-N-methyl-N-prop-2-enylpropan-1-amine
CID 72199012
N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
CID 11117679
N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
CID 135070130
N,N-diethyl-3,7,7,11,11-pentamethyldodec-2-en-1-amine
CID 170848010
n,n-Dimethyl-1-(1,3,5-trimethyl-2-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233422
n,n-Dimethyl-1-(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233424
N,N,N-Trimethyl(1,3,5-trimethyl-2-pentylcyclohexa-2,4-dien-1-yl)methanaminium iodide
CID 24183938
(E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine
CID 11011888
6-(2,4-Ditert-butylcyclopenta-2,4-dien-1-yl)hexyl-triethylazanium
CID 18341883
(E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine
CID 19839202
N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine
CID 19873483
3-(3,6-dihydro-2-methylphenethyl)-N-methylpyrrolidine
CID 20365142

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine (CID 67826628) is N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine is C=CCN(CC=C)CC1=C(C)CCCC1(C)C.
What is the InChIKey of N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is BRZCPFCUUUUZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-11-17(12-7-2)13-15-14(3)9-8-10-16(15,4)5/h6-7H,1-2,8-13H2,3-5H3.
What are the key properties of N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine?
N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 67826628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).