3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine

C16H33N — CID 115846358

IUPAC3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine
SMILESCCCNC(CC(C)CC)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H33N/c1-8-10-17-13(11-12(3)9-2)14-15(4,5)16(14,6)7/h12-14,17H,8-11H2,1-7H3
InChIKeyYKDGEDKSLHNYMV-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.47
Rot. Bonds7

About 3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine

3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine (PubChem CID 115846358) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine
PubChem CID115846358
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine
SMILESCCCNC(CC(C)CC)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H33N/c1-8-10-17-13(11-12(3)9-2)14-15(4,5)16(14,6)7/h12-14,17H,8-11H2,1-7H3
InChIKeyYKDGEDKSLHNYMV-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine
CID 115846405
N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine
CID 115782782
N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine
CID 115814891
N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 105008553
3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65328870
1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
CID 104989433
1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine
CID 107004333
1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine
CID 114104266
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
3,6-dimethyl-N-propyloctan-4-amine
CID 63716674
N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 104990204
5-methyl-N-propylhept-1-en-3-amine
CID 105000936

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine (CID 115846358) is 3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine is CCCNC(CC(C)CC)C1C(C)(C)C1(C)C.
What is the InChIKey of 3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine?
The InChIKey is YKDGEDKSLHNYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-8-10-17-13(11-12(3)9-2)14-15(4,5)16(14,6)7/h12-14,17H,8-11H2,1-7H3.
What are the key properties of 3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine?
3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine is sourced from PubChem (CID 115846358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).