1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine

C15H31N — CID 107004333

IUPAC1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CC1(C)C
InChIInChI=1S/C15H31N/c1-6-8-12(3)10-14(16-9-7-2)13-11-15(13,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyWDCVELSONXLFNQ-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds8

About 1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine

1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine (PubChem CID 107004333) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine
PubChem CID107004333
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CC1(C)C
InChIInChI=1S/C15H31N/c1-6-8-12(3)10-14(16-9-7-2)13-11-15(13,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyWDCVELSONXLFNQ-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine
CID 107004336
3-cyclopropyl-1-(2,2-dimethylcyclopropyl)-N-propylpropan-1-amine
CID 107004602
N-[1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004121
3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine
CID 80627756
3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine
CID 65423977
3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138112
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138024
3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine
CID 115846358
1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine
CID 107004361
3-methyl-1-(4-methylmorpholin-2-yl)-N-propylhexan-1-amine
CID 79093366
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107004583

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine (CID 107004333) is 1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine is CCCNC(CC(C)CCC)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine?
The InChIKey is WDCVELSONXLFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-8-12(3)10-14(16-9-7-2)13-11-15(13,4)5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine?
1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 107004333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).