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

C12H26N2 — CID 107398006

IUPACN'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
SMILESCCNCCCN(CC)CC1CCC1
InChIInChI=1S/C12H26N2/c1-3-13-9-6-10-14(4-2)11-12-7-5-8-12/h12-13H,3-11H2,1-2H3
InChIKeyIDNDPZCXQBTWNF-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds8

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

N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine (PubChem CID 107398006) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
PubChem CID107398006
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
SMILESCCNCCCN(CC)CC1CCC1
InChIInChI=1S/C12H26N2/c1-3-13-9-6-10-14(4-2)11-12-7-5-8-12/h12-13H,3-11H2,1-2H3
InChIKeyIDNDPZCXQBTWNF-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
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 63939122
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 107402185
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
CID 107398077
N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine
CID 107402188
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343
N'-[(3,3-difluorocyclohexyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 114224166
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149
N'-(cyclobutylmethyl)-N-cyclohexyl-N'-ethylethane-1,2-diamine
CID 107402209
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 107400976
6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
CID 103737958

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine (CID 107398006) is N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine is CCNCCCN(CC)CC1CCC1.
What is the InChIKey of N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine?
The InChIKey is IDNDPZCXQBTWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-13-9-6-10-14(4-2)11-12-7-5-8-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine?
N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 107398006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).