N'-cyclohexyl-N'-heptylpropane-1,3-diamine

C16H34N2 — CID 43137640

IUPACN'-cyclohexyl-N'-heptylpropane-1,3-diamine
SMILESCCCCCCCN(CCCN)C1CCCCC1
InChIInChI=1S/C16H34N2/c1-2-3-4-5-9-14-18(15-10-13-17)16-11-7-6-8-12-16/h16H,2-15,17H2,1H3
InChIKeyQRTSTJQRDWLGPH-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.94
Rot. Bonds10

About N'-cyclohexyl-N'-heptylpropane-1,3-diamine

N'-cyclohexyl-N'-heptylpropane-1,3-diamine (PubChem CID 43137640) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-cyclohexyl-N'-heptylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-heptylpropane-1,3-diamine
PubChem CID43137640
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-cyclohexyl-N'-heptylpropane-1,3-diamine
SMILESCCCCCCCN(CCCN)C1CCCCC1
InChIInChI=1S/C16H34N2/c1-2-3-4-5-9-14-18(15-10-13-17)16-11-7-6-8-12-16/h16H,2-15,17H2,1H3
InChIKeyQRTSTJQRDWLGPH-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.94
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'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
N'-cyclopropyl-N'-hexylpropane-1,3-diamine
CID 43137504
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
N-butyl-N-propylcyclohexanamine
CID 15751893
N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
N-(3-bromopropyl)-N-heptylcyclobutanamine
CID 102860068
N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
N-(2-bromoethyl)-N-pentylcyclobutanamine
CID 102860969

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-heptylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-heptylpropane-1,3-diamine (CID 43137640) is N'-cyclohexyl-N'-heptylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-heptylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-heptylpropane-1,3-diamine is CCCCCCCN(CCCN)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-heptylpropane-1,3-diamine?
The InChIKey is QRTSTJQRDWLGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-2-3-4-5-9-14-18(15-10-13-17)16-11-7-6-8-12-16/h16H,2-15,17H2,1H3.
What are the key properties of N'-cyclohexyl-N'-heptylpropane-1,3-diamine?
N'-cyclohexyl-N'-heptylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-heptylpropane-1,3-diamine is sourced from PubChem (CID 43137640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).