N'-cyclopropyl-N'-hexylpropane-1,3-diamine

C12H26N2 — CID 43137504

IUPACN'-cyclopropyl-N'-hexylpropane-1,3-diamine
SMILESCCCCCCN(CCCN)C1CC1
InChIInChI=1S/C12H26N2/c1-2-3-4-5-10-14(11-6-9-13)12-7-8-12/h12H,2-11,13H2,1H3
InChIKeyIPHFRQMVRALUMZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds9

About N'-cyclopropyl-N'-hexylpropane-1,3-diamine

N'-cyclopropyl-N'-hexylpropane-1,3-diamine (PubChem CID 43137504) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-cyclopropyl-N'-hexylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-hexylpropane-1,3-diamine
PubChem CID43137504
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-cyclopropyl-N'-hexylpropane-1,3-diamine
SMILESCCCCCCN(CCCN)C1CC1
InChIInChI=1S/C12H26N2/c1-2-3-4-5-10-14(11-6-9-13)12-7-8-12/h12H,2-11,13H2,1H3
InChIKeyIPHFRQMVRALUMZ-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
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

N'-cyclopentyl-N'-nonylpropane-1,3-diamine
CID 43319594
N'-cyclopentyl-N'-hexylpropane-1,3-diamine
CID 43137589
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
N'-cyclohexyl-N'-heptylpropane-1,3-diamine
CID 43137640
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
N'-cyclopropyl-N'-[3-(dimethylamino)propyl]propane-1,3-diamine
CID 114524959
N-(2-chloroethyl)-N-pentylcyclopropanamine
CID 63388032
N-(3-bromopropyl)-N-heptylcyclobutanamine
CID 102860068
N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
3-[cyclopropyl(dodecyl)amino]propanoic acid
CID 62065004
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-hexylpropane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-hexylpropane-1,3-diamine (CID 43137504) is N'-cyclopropyl-N'-hexylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-hexylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-hexylpropane-1,3-diamine is CCCCCCN(CCCN)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-hexylpropane-1,3-diamine?
The InChIKey is IPHFRQMVRALUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-2-3-4-5-10-14(11-6-9-13)12-7-8-12/h12H,2-11,13H2,1H3.
What are the key properties of N'-cyclopropyl-N'-hexylpropane-1,3-diamine?
N'-cyclopropyl-N'-hexylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-hexylpropane-1,3-diamine is sourced from PubChem (CID 43137504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).