1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide

C16H30N2O2 — CID 63713295

IUPAC1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
SMILESCN(CC1CCCOC1)C(=O)C1(CN)CCCCCC1
InChIInChI=1S/C16H30N2O2/c1-18(11-14-7-6-10-20-12-14)15(19)16(13-17)8-4-2-3-5-9-16/h14H,2-13,17H2,1H3
InChIKeyBHPDOCOWUIVPDB-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.17
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide

1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide (PubChem CID 63713295) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
PubChem CID63713295
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
SMILESCN(CC1CCCOC1)C(=O)C1(CN)CCCCCC1
InChIInChI=1S/C16H30N2O2/c1-18(11-14-7-6-10-20-12-14)15(19)16(13-17)8-4-2-3-5-9-16/h14H,2-13,17H2,1H3
InChIKeyBHPDOCOWUIVPDB-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
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1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
CID 63236819
1-methyl-1-(oxan-3-ylmethyl)urea
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CID 63726971
1-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80598806
N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63719753
4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120922145
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348
1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 115452951
2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide
CID 55227786

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide (CID 63713295) is 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide is CN(CC1CCCOC1)C(=O)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide?
The InChIKey is BHPDOCOWUIVPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-18(11-14-7-6-10-20-12-14)15(19)16(13-17)8-4-2-3-5-9-16/h14H,2-13,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 63713295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).