N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine

C14H30N2 — CID 17215343

IUPACN-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCC1CCCCC1
InChIInChI=1S/C14H30N2/c1-3-16(4-2)12-8-11-15-13-14-9-6-5-7-10-14/h14-15H,3-13H2,1-2H3
InChIKeyOZFVAMLSHIVXLV-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds8

About N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine

N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 17215343) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
PubChem CID17215343
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCC1CCCCC1
InChIInChI=1S/C14H30N2/c1-3-16(4-2)12-8-11-15-13-14-9-6-5-7-10-14/h14-15H,3-13H2,1-2H3
InChIKeyOZFVAMLSHIVXLV-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
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-(cyclopropylmethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960498
N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79698915
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
N-[(3,3-difluorocyclohexyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 114223711
N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960501
N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine
CID 63503881
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
N-(2-cyclohexylethyl)-N'-ethyl-N'-pentylpropane-1,3-diamine
CID 143839943
N-(cyclohexylmethyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 63503578
N'-(3-aminopropyl)-N-[3-(cycloheptylmethylamino)propyl]-N'-[3-(ethylamino)propyl]heptane-1,7-diamine
CID 58965158
N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107398006

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine (CID 17215343) is N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is OZFVAMLSHIVXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-16(4-2)12-8-11-15-13-14-9-6-5-7-10-14/h14-15H,3-13H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine?
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 17215343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).