2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine

C15H29NO — CID 79836963

IUPAC2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)CCCC1CCCO1
InChIInChI=1S/C15H29NO/c1-14(2)9-3-4-10-15(14,16)11-5-7-13-8-6-12-17-13/h13H,3-12,16H2,1-2H3
InChIKeyOHUUUIRPSFWXED-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.63
Rot. Bonds4

About 2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine

2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (PubChem CID 79836963) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
PubChem CID79836963
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)CCCC1CCCO1
InChIInChI=1S/C15H29NO/c1-14(2)9-3-4-10-15(14,16)11-5-7-13-8-6-12-17-13/h13H,3-12,16H2,1-2H3
InChIKeyOHUUUIRPSFWXED-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65167462
2,2-dimethyl-1-[2-(oxolan-2-yl)ethyl]cyclohexan-1-ol
CID 79847009
2-[3-[1-(bromomethyl)cyclohexyl]propyl]oxolane
CID 66048020
4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol
CID 65167036
[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65424498
2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65166842
1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 80683820
4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65170355
1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65167150
4,4-dimethyl-3-[3-(oxolan-2-yl)propyl]thian-3-ol
CID 79955990
4-[3-(oxolan-2-yl)propyl]oxan-4-ol
CID 65162115
3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-ol
CID 65162228

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (CID 79836963) is 2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is CC1(C)CCCCC1(N)CCCC1CCCO1.
What is the InChIKey of 2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The InChIKey is OHUUUIRPSFWXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2)9-3-4-10-15(14,16)11-5-7-13-8-6-12-17-13/h13H,3-12,16H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 79836963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).