2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine

C16H35N3 — CID 105418216

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCNCC(C)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H35N3/c1-14(2)8-11-17-12-15(3)19(6)13-16(18(4)5)9-7-10-16/h14-15,17H,7-13H2,1-6H3
InChIKeyCLNGAYBHSNYGHT-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds9

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine (PubChem CID 105418216) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
PubChem CID105418216
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCNCC(C)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H35N3/c1-14(2)8-11-17-12-15(3)19(6)13-16(18(4)5)9-7-10-16/h14-15,17H,7-13H2,1-6H3
InChIKeyCLNGAYBHSNYGHT-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine
CID 105418002
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103227382
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 105418195
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine
CID 105418038
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide
CID 105418482
3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine
CID 105414347
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile
CID 105414725
1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 105417765
2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid
CID 105416899
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine
CID 105414348

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine (CID 105418216) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine is CC(C)CCNCC(C)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine?
The InChIKey is CLNGAYBHSNYGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-14(2)8-11-17-12-15(3)19(6)13-16(18(4)5)9-7-10-16/h14-15,17H,7-13H2,1-6H3.
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 105418216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).