N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine

C16H29NO — CID 65165818

IUPACN-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCNCC1(CCCC2CCCO2)CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-17-12-16(11-13-6-7-14(16)10-13)8-2-4-15-5-3-9-18-15/h13-15,17H,2-12H2,1H3
InChIKeyCARSMRKMCAWHNK-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds6

About N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine

N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 65165818) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID65165818
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCNCC1(CCCC2CCCO2)CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-17-12-16(11-13-6-7-14(16)10-13)8-2-4-15-5-3-9-18-15/h13-15,17H,2-12H2,1H3
InChIKeyCARSMRKMCAWHNK-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63522001
N-methyl-1-[1-(oxolan-2-ylmethyl)cyclopropyl]methanamine
CID 66025753
1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 65166135
4-[3-(oxolan-2-yl)propyl]oxan-4-ol
CID 65162115
3-ethoxy-1-[3-(oxolan-2-yl)propyl]cyclobutan-1-ol
CID 106823544
4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol
CID 65167036
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
3-[3-(oxolan-2-yl)propyl]oxolan-3-ol
CID 65162171
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
1-[2-[(5-fluoro-2-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 105374902
N-[[2-(3-ethylsulfonylpropyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 65096862
N-methyl-1-[4-[3-(oxolan-2-yl)propyl]morpholin-3-yl]methanamine
CID 83099650

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine (CID 65165818) is N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine is CNCC1(CCCC2CCCO2)CC2CCC1C2.
What is the InChIKey of N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is CARSMRKMCAWHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-17-12-16(11-13-6-7-14(16)10-13)8-2-4-15-5-3-9-18-15/h13-15,17H,2-12H2,1H3.
What are the key properties of N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 251.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[3-(oxolan-2-yl)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 65165818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).