1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine

C16H31N — CID 112743726

IUPAC1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)C(C1CC1)C1CC1
InChIInChI=1S/C16H31N/c1-4-11-17-15(10-5-12(2)3)16(13-6-7-13)14-8-9-14/h12-17H,4-11H2,1-3H3
InChIKeyGSMKDBVZAHORPX-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds9

About 1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine

1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine (PubChem CID 112743726) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine
PubChem CID112743726
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)C(C1CC1)C1CC1
InChIInChI=1S/C16H31N/c1-4-11-17-15(10-5-12(2)3)16(13-6-7-13)14-8-9-14/h12-17H,4-11H2,1-3H3
InChIKeyGSMKDBVZAHORPX-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
4-methyl-N-propyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 65424745
2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992954
3-methoxy-7-methyl-N-propyloctan-4-amine
CID 116715914
1-cyclopropyl-4-methyl-N-propylpentan-2-amine
CID 64903821
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
CID 116771907
1-cyclopropyl-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63913678
3-cyclopentyl-1,1-difluoro-N-propylpropan-2-amine
CID 103516567
4-cyclopropyl-N-propylpentan-2-amine
CID 64721662
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
1-(1,1-dioxothiolan-3-yl)-4-methyl-N-propylpentan-1-amine
CID 113289799
N-[1-cyclopropyl-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 64610493

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine (CID 112743726) is 1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine is CCCNC(CCC(C)C)C(C1CC1)C1CC1.
What is the InChIKey of 1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine?
The InChIKey is GSMKDBVZAHORPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-11-17-15(10-5-12(2)3)16(13-6-7-13)14-8-9-14/h12-17H,4-11H2,1-3H3.
What are the key properties of 1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine?
1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 112743726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).