2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine

C16H31NO — CID 103905726

IUPAC2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine
SMILESCC(C)CC(CC(C)C)NC1CCOC1C1CC1
InChIInChI=1S/C16H31NO/c1-11(2)9-14(10-12(3)4)17-15-7-8-18-16(15)13-5-6-13/h11-17H,5-10H2,1-4H3
InChIKeyRLFWRDPELZQTAS-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.60
Rot. Bonds7

About 2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine

2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine (PubChem CID 103905726) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine
PubChem CID103905726
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine
SMILESCC(C)CC(CC(C)C)NC1CCOC1C1CC1
InChIInChI=1S/C16H31NO/c1-11(2)9-14(10-12(3)4)17-15-7-8-18-16(15)13-5-6-13/h11-17H,5-10H2,1-4H3
InChIKeyRLFWRDPELZQTAS-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-hex-5-en-2-yloxolan-3-amine
CID 104583626
2-cyclopropyl-N-(2-ethylbutyl)oxolan-3-amine
CID 103923918
N-butyl-2-cyclopropyloxolan-3-amine
CID 103580713
2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]oxolan-3-amine
CID 103905775
2-cyclopropyl-N-(1-phenylpropyl)oxolan-3-amine
CID 113349312
2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine
CID 103864424
2-cyclopropyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]oxolan-3-amine
CID 113349326
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine
CID 113349300
4-[(2-cyclopropyloxolan-3-yl)amino]-2-methylbutan-2-ol
CID 103580800
2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine
CID 103905754
N-[2-[(2-cyclopropyloxolan-3-yl)amino]ethyl]acetamide
CID 103580659
3-[(2-cyclopropyloxolan-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103580905

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine (CID 103905726) is 2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine is CC(C)CC(CC(C)C)NC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine?
The InChIKey is RLFWRDPELZQTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-11(2)9-14(10-12(3)4)17-15-7-8-18-16(15)13-5-6-13/h11-17H,5-10H2,1-4H3.
What are the key properties of 2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine?
2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine has a molecular weight of 253.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine is sourced from PubChem (CID 103905726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).