N'-methyl-N'-pentan-3-ylmethanediamine

C7H18N2 — CID 58780835

IUPACN'-methyl-N'-pentan-3-ylmethanediamine
SMILESCCC(CC)N(C)CN
InChIInChI=1S/C7H18N2/c1-4-7(5-2)9(3)6-8/h7H,4-6,8H2,1-3H3
InChIKeyRKRAKMSSLGCENE-UHFFFAOYSA-N
MW130.23 g/mol
LogP1.02
Rot. Bonds4

About N'-methyl-N'-pentan-3-ylmethanediamine

N'-methyl-N'-pentan-3-ylmethanediamine (PubChem CID 58780835) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N'-methyl-N'-pentan-3-ylmethanediamine.

Molecular Properties

Compound NameN'-methyl-N'-pentan-3-ylmethanediamine
PubChem CID58780835
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN'-methyl-N'-pentan-3-ylmethanediamine
SMILESCCC(CC)N(C)CN
InChIInChI=1S/C7H18N2/c1-4-7(5-2)9(3)6-8/h7H,4-6,8H2,1-3H3
InChIKeyRKRAKMSSLGCENE-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 103934492
1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 43571008
N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine
CID 159293818
2-N,2-N-dimethylbutane-1,2-diamine;dihydrochloride
CID 43810640
3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine
CID 173242515
1-amino-2-[methyl(sulfamoyl)amino]butane
CID 131223214
1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine
CID 43570997
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
2-N-(cyclopentylmethyl)-2-N-methylbutane-1,2-diamine
CID 63632440
5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol
CID 107198475
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
N-(2-aminoethyl)-2-[methyl(pentan-3-yl)amino]acetamide
CID 61209052

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-pentan-3-ylmethanediamine?
The IUPAC name of N'-methyl-N'-pentan-3-ylmethanediamine (CID 58780835) is N'-methyl-N'-pentan-3-ylmethanediamine.
What is the SMILES notation for N'-methyl-N'-pentan-3-ylmethanediamine?
The canonical SMILES for N'-methyl-N'-pentan-3-ylmethanediamine is CCC(CC)N(C)CN.
What is the InChIKey of N'-methyl-N'-pentan-3-ylmethanediamine?
The InChIKey is RKRAKMSSLGCENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-4-7(5-2)9(3)6-8/h7H,4-6,8H2,1-3H3.
What are the key properties of N'-methyl-N'-pentan-3-ylmethanediamine?
N'-methyl-N'-pentan-3-ylmethanediamine has a molecular weight of 130.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-pentan-3-ylmethanediamine is sourced from PubChem (CID 58780835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).