N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine

C12H26N2 — CID 63939122

IUPACN'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine
SMILESCCNCCCCN(CC)CC1CC1
InChIInChI=1S/C12H26N2/c1-3-13-9-5-6-10-14(4-2)11-12-7-8-12/h12-13H,3-11H2,1-2H3
InChIKeyVNXLFOCRIKDHGB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds9

About N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine

N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine (PubChem CID 63939122) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine
PubChem CID63939122
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine
SMILESCCNCCCCN(CC)CC1CC1
InChIInChI=1S/C12H26N2/c1-3-13-9-5-6-10-14(4-2)11-12-7-8-12/h12-13H,3-11H2,1-2H3
InChIKeyVNXLFOCRIKDHGB-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 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 ≤ 52.11
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'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107398006
N-(cyclopropylmethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960498
6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
CID 103737958
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N'-cyclopropyl-N,N'-diethylpentane-1,5-diamine
CID 62421283
N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine
CID 115873081
5-[cyclopropylmethyl(ethyl)amino]pentanehydrazide
CID 63940685
N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960501
N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 107402185
6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol
CID 64789640
N'-[(3,3-difluorocyclohexyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 114224166
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine (CID 63939122) is N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine is CCNCCCCN(CC)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine?
The InChIKey is VNXLFOCRIKDHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-13-9-5-6-10-14(4-2)11-12-7-8-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine?
N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine is sourced from PubChem (CID 63939122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).