N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine

C14H34N4 — CID 67380436

IUPACN'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine
SMILESCNCCC(C)N.NCCCNC1CCCCC1
InChIInChI=1S/C9H20N2.C5H14N2/c10-7-4-8-11-9-5-2-1-3-6-9;1-5(6)3-4-7-2/h9,11H,1-8,10H2;5,7H,3-4,6H2,1-2H3
InChIKeyOAERXBHKHOIJBM-UHFFFAOYSA-N
MW258.45 g/mol
LogP1.20
Rot. Bonds7

About N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine

N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine (PubChem CID 67380436) has the molecular formula C14H34N4 and a molecular weight of 258.45 g/mol. Its IUPAC name is N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine
PubChem CID67380436
Molecular FormulaC14H34N4
Molecular Weight258.45 g/mol
Exact Mass258.28
IUPAC NameN'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine
SMILESCNCCC(C)N.NCCCNC1CCCCC1
InChIInChI=1S/C9H20N2.C5H14N2/c10-7-4-8-11-9-5-2-1-3-6-9;1-5(6)3-4-7-2/h9,11H,1-8,10H2;5,7H,3-4,6H2,1-2H3
InChIKeyOAERXBHKHOIJBM-UHFFFAOYSA-N
XLogP1.20
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cycloheptylbutane-1,4-diamine
CID 60894157
N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine
CID 169227867
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N'-cycloundecylethane-1,2-diamine
CID 166845791
N'-cyclopropylpropane-1,3-diamine
CID 44784906
N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 62707679
N'-cyclobutyl-2-methylpentane-1,5-diamine
CID 82682689
N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N-(5-chloro-4-methylpentyl)cycloheptanamine
CID 106153204
N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine
CID 60889308
N'-cyclopentylethane-1,2-diamine;dihydrochloride
CID 154725501
N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 142089366

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine?
The IUPAC name of N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine (CID 67380436) is N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine.
What is the SMILES notation for N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine?
The canonical SMILES for N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine is CNCCC(C)N.NCCCNC1CCCCC1.
What is the InChIKey of N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine?
The InChIKey is OAERXBHKHOIJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C5H14N2/c10-7-4-8-11-9-5-2-1-3-6-9;1-5(6)3-4-7-2/h9,11H,1-8,10H2;5,7H,3-4,6H2,1-2H3.
What are the key properties of N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine?
N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine has a molecular weight of 258.45 g/mol, XLogP of 1.20, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 67380436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).