2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine

C13H28N2 — CID 62861474

IUPAC2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)CC1CCC1
InChIInChI=1S/C13H28N2/c1-4-12(5-2)13(9-14)15(3)10-11-7-6-8-11/h11-13H,4-10,14H2,1-3H3
InChIKeyBOVHDCRPEBVUMH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds7

About 2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine

2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine (PubChem CID 62861474) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine
PubChem CID62861474
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)CC1CCC1
InChIInChI=1S/C13H28N2/c1-4-12(5-2)13(9-14)15(3)10-11-7-6-8-11/h11-13H,4-10,14H2,1-3H3
InChIKeyBOVHDCRPEBVUMH-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclopentylmethyl)-2-N-methylbutane-1,2-diamine
CID 63632440
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
2-N,3-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63276153
3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol
CID 114357128
3-N-(cyclohexylmethyl)-3-N-methylpentane-1,3-diamine
CID 61444292
(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890
3-N-(cyclobutylmethyl)-3-N,2,2-trimethylhexane-3,4-diamine
CID 62861280
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
3-[cyclobutylmethyl(methyl)amino]pentanethioamide
CID 62861317
2-(aminomethyl)-N-(cyclobutylmethyl)-N-methylbutanamide
CID 62860792
2-N-(cyclobutylmethyl)-1-N,2-N,3-trimethylbutane-1,2-diamine
CID 62856242

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine (CID 62861474) is 2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine is CCC(CC)C(CN)N(C)CC1CCC1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine?
The InChIKey is BOVHDCRPEBVUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-12(5-2)13(9-14)15(3)10-11-7-6-8-11/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine?
2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine is sourced from PubChem (CID 62861474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).