1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C16H29NO — CID 113259887

IUPAC1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1(C)C2(C)C)C1CCOC1
InChIInChI=1S/C16H29NO/c1-11(12-6-8-18-10-12)17-14-9-13-5-7-16(14,4)15(13,2)3/h11-14,17H,5-10H2,1-4H3
InChIKeyDDKLRILSEUTPQA-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.22
Rot. Bonds3

About 1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 113259887) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID113259887
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1(C)C2(C)C)C1CCOC1
InChIInChI=1S/C16H29NO/c1-11(12-6-8-18-10-12)17-14-9-13-5-7-16(14,4)15(13,2)3/h11-14,17H,5-10H2,1-4H3
InChIKeyDDKLRILSEUTPQA-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propane-1,3-diol
CID 103952078
methyl (2S)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoate
CID 63021775
N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
CID 104749625
3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine
CID 115714653
N-[(1-methylcyclopropyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103902883
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 79236127
1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 43223472
N-[1-(oxolan-3-yl)ethyl]cyclopent-3-en-1-amine
CID 115728380
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide
CID 60664094
N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 113263452

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 113259887) is 1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is CC(NC1CC2CCC1(C)C2(C)C)C1CCOC1.
What is the InChIKey of 1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is DDKLRILSEUTPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11(12-6-8-18-10-12)17-14-9-13-5-7-16(14,4)15(13,2)3/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 251.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 113259887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).