1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide

C14H26N2O — CID 115453569

IUPAC1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(CN)CC1)C1CCCCCC1
InChIInChI=1S/C14H26N2O/c1-11(12-6-4-2-3-5-7-12)16-13(17)14(10-15)8-9-14/h11-12H,2-10,15H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyCDPKXJPHHPZGFZ-NSHDSACASA-N
MW238.37 g/mol
LogP2.20
Rot. Bonds4

About 1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide (PubChem CID 115453569) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide
PubChem CID115453569
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(CN)CC1)C1CCCCCC1
InChIInChI=1S/C14H26N2O/c1-11(12-6-4-2-3-5-7-12)16-13(17)14(10-15)8-9-14/h11-12H,2-10,15H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyCDPKXJPHHPZGFZ-NSHDSACASA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(1-cyclohexylethyl)cyclopropane-1-carboxamide
CID 80587607
1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 94432129
4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide
CID 115439786
N-[(1R)-1-cyclohexylethyl]-4-ethylpiperidine-4-carboxamide
CID 81385512
1-amino-N-(1-cyclohexylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119279818
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
N-[(1S)-1-cyclopentylethyl]-4-ethylpiperidine-4-carboxamide
CID 81390475
N-[(1R)-1-cycloheptylethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81391921
N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide
CID 81385508
1-(aminomethyl)-N-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxamide
CID 71234398
N-(1-cyclohexylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596677
1-carbamothioyl-N-(1-cyclohexylethyl)cycloheptane-1-carboxamide
CID 62405102

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide (CID 115453569) is 1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)C1(CN)CC1)C1CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide?
The InChIKey is CDPKXJPHHPZGFZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(12-6-4-2-3-5-7-12)16-13(17)14(10-15)8-9-14/h11-12H,2-10,15H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115453569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).