1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine

C15H33N3 — CID 69425142

IUPAC1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine
SMILESCCCNC1CCC(NCCC)C(NCCC)C1
InChIInChI=1S/C15H33N3/c1-4-9-16-13-7-8-14(17-10-5-2)15(12-13)18-11-6-3/h13-18H,4-12H2,1-3H3
InChIKeyXOWSDAQBUCZMKC-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.27
Rot. Bonds9

About 1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine

1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine (PubChem CID 69425142) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine.

Molecular Properties

Compound Name1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine
PubChem CID69425142
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine
SMILESCCCNC1CCC(NCCC)C(NCCC)C1
InChIInChI=1S/C15H33N3/c1-4-9-16-13-7-8-14(17-10-5-2)15(12-13)18-11-6-3/h13-18H,4-12H2,1-3H3
InChIKeyXOWSDAQBUCZMKC-UHFFFAOYSA-N
XLogP2.27
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528
3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
CID 79569853
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-propyl-3-propylsulfonylcyclopentan-1-amine
CID 64723445
3-cyclobutyloxy-N-propylcyclopentan-1-amine
CID 79632240
1-N-propylcyclohexane-1,3-diamine
CID 22026573
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
3-butoxy-N-propylcyclopentan-1-amine
CID 79644204
3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine
CID 79186208
N-propyl-3-propylsulfinylcyclopentan-1-amine
CID 64722656
2-[3-(propylamino)cyclopentyl]acetic acid
CID 123558045
N-propylcyclohexanamine;hydrochloride
CID 17370003

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine?
The IUPAC name of 1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine (CID 69425142) is 1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine.
What is the SMILES notation for 1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine?
The canonical SMILES for 1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine is CCCNC1CCC(NCCC)C(NCCC)C1.
What is the InChIKey of 1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine?
The InChIKey is XOWSDAQBUCZMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-4-9-16-13-7-8-14(17-10-5-2)15(12-13)18-11-6-3/h13-18H,4-12H2,1-3H3.
What are the key properties of 1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine?
1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine has a molecular weight of 255.45 g/mol, XLogP of 2.27, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine is sourced from PubChem (CID 69425142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).