cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide

C16H28N2O — CID 97161449

IUPACcis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide
SMILESN[C@@H]1CCCCC[C@@H]1C(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C16H28N2O/c17-15-5-3-1-2-4-14(15)16(19)18(10-12-6-7-12)11-13-8-9-13/h12-15H,1-11,17H2/t14-,15+/m0/s1
InChIKeyIZWBBRWUXJWPBI-LSDHHAIUSA-N
MW264.41 g/mol
LogP2.54
Rot. Bonds5

About cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide

cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide (PubChem CID 97161449) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide
PubChem CID97161449
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Namecis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide
SMILESN[C@@H]1CCCCC[C@@H]1C(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C16H28N2O/c17-15-5-3-1-2-4-14(15)16(19)18(10-12-6-7-12)11-13-8-9-13/h12-15H,1-11,17H2/t14-,15+/m0/s1
InChIKeyIZWBBRWUXJWPBI-LSDHHAIUSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide
CID 97161450
2-amino-N-(cyclohexylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64822627
2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid
CID 64822709
2-amino-N-ethyl-N-propylcyclohexane-1-carboxamide
CID 62777516
cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
CID 97051119
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
CID 95970217
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
2-amino-N,N-dimethylcyclopentane-1-carboxamide
CID 59215971
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809
cyclohexylmethyl 2-aminocyclohexane-1-carboxylate
CID 64817458
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64822616
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide (CID 97161449) is cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide is N[C@@H]1CCCCC[C@@H]1C(=O)N(CC1CC1)CC1CC1.
What is the InChIKey of cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide?
The InChIKey is IZWBBRWUXJWPBI-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H28N2O/c17-15-5-3-1-2-4-14(15)16(19)18(10-12-6-7-12)11-13-8-9-13/h12-15H,1-11,17H2/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide?
cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide has a molecular weight of 264.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-amino-N,N-bis(cyclopropylmethyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 97161449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).