1,4-dibutylcyclohexane-1,4-diamine

C14H30N2 — CID 139996761

IUPAC1,4-dibutylcyclohexane-1,4-diamine
SMILESCCCCC1(N)CCC(N)(CCCC)CC1
InChIInChI=1S/C14H30N2/c1-3-5-7-13(15)9-11-14(16,12-10-13)8-6-4-2/h3-12,15-16H2,1-2H3
InChIKeyICUFFBAZMFDXGR-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.34
Rot. Bonds6

About 1,4-dibutylcyclohexane-1,4-diamine

1,4-dibutylcyclohexane-1,4-diamine (PubChem CID 139996761) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1,4-dibutylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1,4-dibutylcyclohexane-1,4-diamine
PubChem CID139996761
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1,4-dibutylcyclohexane-1,4-diamine
SMILESCCCCC1(N)CCC(N)(CCCC)CC1
InChIInChI=1S/C14H30N2/c1-3-5-7-13(15)9-11-14(16,12-10-13)8-6-4-2/h3-12,15-16H2,1-2H3
InChIKeyICUFFBAZMFDXGR-UHFFFAOYSA-N
XLogP3.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-pentylcyclopropan-1-amine
CID 66023547
1-decylcyclopropan-1-amine
CID 66023987
1-butylcyclohexan-1-amine
CID 13182498
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-heptylcycloheptan-1-amine
CID 63407607
4-heptyloxan-4-amine
CID 63220508
1-dodecyl-3,3-dimethylcyclopentan-1-amine
CID 80705069
1-(3-ethylsulfonylpropyl)cyclopropan-1-amine
CID 66024875
4-(aminomethyl)-1-pentylcyclohexan-1-amine
CID 69228724
4,4-dimethyl-1-propylcycloheptan-1-amine
CID 65084317
1-(3-fluoropropyl)cyclopropan-1-amine
CID 105427107
4-butyl-1-hexylcyclohexan-1-amine
CID 65020342

Frequently Asked Questions

What is the IUPAC name of 1,4-dibutylcyclohexane-1,4-diamine?
The IUPAC name of 1,4-dibutylcyclohexane-1,4-diamine (CID 139996761) is 1,4-dibutylcyclohexane-1,4-diamine.
What is the SMILES notation for 1,4-dibutylcyclohexane-1,4-diamine?
The canonical SMILES for 1,4-dibutylcyclohexane-1,4-diamine is CCCCC1(N)CCC(N)(CCCC)CC1.
What is the InChIKey of 1,4-dibutylcyclohexane-1,4-diamine?
The InChIKey is ICUFFBAZMFDXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-5-7-13(15)9-11-14(16,12-10-13)8-6-4-2/h3-12,15-16H2,1-2H3.
What are the key properties of 1,4-dibutylcyclohexane-1,4-diamine?
1,4-dibutylcyclohexane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutylcyclohexane-1,4-diamine is sourced from PubChem (CID 139996761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).