1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine

C12H26N2 — CID 63954939

IUPAC1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
SMILESCCNC(CC)CN(CC)CC1CC1
InChIInChI=1S/C12H26N2/c1-4-12(13-5-2)10-14(6-3)9-11-7-8-11/h11-13H,4-10H2,1-3H3
InChIKeyMWAFUOFAKRGWIB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds8

About 1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine

1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine (PubChem CID 63954939) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
PubChem CID63954939
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
SMILESCCNC(CC)CN(CC)CC1CC1
InChIInChI=1S/C12H26N2/c1-4-12(13-5-2)10-14(6-3)9-11-7-8-11/h11-13H,4-10H2,1-3H3
InChIKeyMWAFUOFAKRGWIB-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

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Related Compounds

1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
CID 107397983
1-cyclopentyl-N'-(cyclopropylmethyl)-N,N'-diethylethane-1,2-diamine
CID 104746400
4-[[ethyl(2-methylbutyl)amino]methyl]cyclohexan-1-amine
CID 79470848
1-N-[3-(dimethylamino)propyl]-1-N,2-N-diethylbutane-1,2-diamine
CID 102992396
N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
CID 63955360
2-N-(cyclopropylmethyl)-1-N-ethyl-1-N-methylbutane-1,2-diamine
CID 167503112
methyl 2-amino-3-[cyclopropylmethyl(ethyl)amino]propanoate
CID 63955898
N'-(cyclopropylmethyl)-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
CID 65233035
N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine
CID 65233033
N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 115996957
1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine
CID 81101411
N'-(cyclopropylmethyl)-N-(dicyclopropylmethyl)-N'-ethylethane-1,2-diamine
CID 63941075

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine (CID 63954939) is 1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine is CCNC(CC)CN(CC)CC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine?
The InChIKey is MWAFUOFAKRGWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-12(13-5-2)10-14(6-3)9-11-7-8-11/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine?
1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-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 1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine is sourced from PubChem (CID 63954939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).