N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine

C15H29NO — CID 81297392

IUPACN-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCCC1NCCC1CCCO1
InChIInChI=1S/C15H29NO/c1-12(2)14-7-3-4-8-15(14)16-10-9-13-6-5-11-17-13/h12-16H,3-11H2,1-2H3
InChIKeyYEQWSJPWNODPTL-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine

N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 81297392) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID81297392
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCCC1NCCC1CCCO1
InChIInChI=1S/C15H29NO/c1-12(2)14-7-3-4-8-15(14)16-10-9-13-6-5-11-17-13/h12-16H,3-11H2,1-2H3
InChIKeyYEQWSJPWNODPTL-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 115708973
2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine
CID 79957673
N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine
CID 93468404
2-[2-(oxolan-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 61039747
3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 115708972
1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 107859707
1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
CID 115708963
2-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65163066
N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073476
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine (CID 81297392) is N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCCC1NCCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is YEQWSJPWNODPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)14-7-3-4-8-15(14)16-10-9-13-6-5-11-17-13/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81297392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).