N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine

C14H28N2 — CID 90999037

IUPACN',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNC1=CC(C)CCC1
InChIInChI=1S/C14H28N2/c1-4-16(5-2)11-7-10-15-14-9-6-8-13(3)12-14/h12-13,15H,4-11H2,1-3H3
InChIKeyNIAKFRWEISZMNW-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.01
Rot. Bonds7

About N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine

N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine (PubChem CID 90999037) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine
PubChem CID90999037
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNC1=CC(C)CCC1
InChIInChI=1S/C14H28N2/c1-4-16(5-2)11-7-10-15-14-9-6-8-13(3)12-14/h12-13,15H,4-11H2,1-3H3
InChIKeyNIAKFRWEISZMNW-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrroline, 2-cyclohexyl-
CID 19067922
4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione
CID 5202267
4-Dihydro-2,4-dihydro-2,4,6-tri-methylpyridine
CID 21326805
3-(aminomethyl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine
CID 138645908
4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine
CID 139394923
(1E,3S,4E)-1-N-ethyl-7-fluoro-1-N,4-N,3,6-tetramethylcyclonona-1,4-diene-1,4-diamine
CID 163881628
(4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine
CID 167068198
5-fluoro-N,3-dimethylcyclohexen-1-amine
CID 170185936
(E)-1-N-ethyl-1-N-[(6-fluoro-6-methylcyclohex-3-en-1-yl)methyl]-2-N-methylbut-2-ene-1,2-diamine
CID 170446160
(3R,5S)-3-fluoro-3,5-dimethyl-N-(2-methylpropyl)cyclohexen-1-amine
CID 173813968
3-Fluoro-6-[(6-methyl-1,2,3,4-tetrahydropyridin-3-yl)methyl]-1,2,3,4-tetrahydropyridine
CID 174326321
(Z)-1-N-[2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)ethyl]-4-N,4-N-dimethylbut-1-ene-1,2,4-triamine
CID 143101114

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine (CID 90999037) is N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine is CCN(CC)CCCNC1=CC(C)CCC1.
What is the InChIKey of N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine?
The InChIKey is NIAKFRWEISZMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-16(5-2)11-7-10-15-14-9-6-8-13(3)12-14/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine?
N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(3-methylcyclohexen-1-yl)propane-1,3-diamine is sourced from PubChem (CID 90999037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).