3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine

C16H35N3 — CID 105414348

IUPAC3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine
SMILESCCCC(NC)C(CC)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H35N3/c1-7-10-14(17-3)15(8-2)19(6)13-16(18(4)5)11-9-12-16/h14-15,17H,7-13H2,1-6H3
InChIKeyIXJDDDOMYWKUNP-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds9

About 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine

3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine (PubChem CID 105414348) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine.

Molecular Properties

Compound Name3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine
PubChem CID105414348
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine
SMILESCCCC(NC)C(CC)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H35N3/c1-7-10-14(17-3)15(8-2)19(6)13-16(18(4)5)11-9-12-16/h14-15,17H,7-13H2,1-6H3
InChIKeyIXJDDDOMYWKUNP-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine
CID 105414347
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine
CID 105418038
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-[[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-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 105418216
1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine
CID 105418002
3-amino-2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,4-dimethylpentan-1-ol
CID 105414476
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,3-N-dimethylbutane-1,3-diamine
CID 105414306
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide
CID 105418482
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 105421320

Frequently Asked Questions

What is the IUPAC name of 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine?
The IUPAC name of 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine (CID 105414348) is 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine.
What is the SMILES notation for 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine?
The canonical SMILES for 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine is CCCC(NC)C(CC)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine?
The InChIKey is IXJDDDOMYWKUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-7-10-14(17-3)15(8-2)19(6)13-16(18(4)5)11-9-12-16/h14-15,17H,7-13H2,1-6H3.
What are the key properties of 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine?
3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine is sourced from PubChem (CID 105414348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).