1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine

C16H34N2 — CID 66453635

IUPAC1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCCN(CC(C)(C)C(C)NCCC)C1CC1
InChIInChI=1S/C16H34N2/c1-6-8-12-18(15-9-10-15)13-16(4,5)14(3)17-11-7-2/h14-15,17H,6-13H2,1-5H3
InChIKeyNDQGILDVWDDFCE-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds10

About 1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine

1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine (PubChem CID 66453635) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine
PubChem CID66453635
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCCN(CC(C)(C)C(C)NCCC)C1CC1
InChIInChI=1S/C16H34N2/c1-6-8-12-18(15-9-10-15)13-16(4,5)14(3)17-11-7-2/h14-15,17H,6-13H2,1-5H3
InChIKeyNDQGILDVWDDFCE-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
CID 102870900
2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
CID 66455597
N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 55197311
2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
CID 66452348
1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine
CID 66453429
2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine
CID 66453834
2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol
CID 66455172
1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine
CID 66453458
1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine
CID 61443451
N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine
CID 62555536
2-amino-3-[butyl(cyclopropyl)amino]-2-methylpropan-1-ol
CID 64826521
5-[[2,2-dimethyl-3-(propylamino)butyl]-methylamino]pentan-1-ol
CID 107204559

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine (CID 66453635) is 1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine is CCCCN(CC(C)(C)C(C)NCCC)C1CC1.
What is the InChIKey of 1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is NDQGILDVWDDFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-8-12-18(15-9-10-15)13-16(4,5)14(3)17-11-7-2/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine?
1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 66453635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).