cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide

C15H30N2O — CID 97159337

IUPACcis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C15H30N2O/c1-5-14(6-2)17(10-11(3)4)15(18)12-7-8-13(16)9-12/h11-14H,5-10,16H2,1-4H3/t12-,13+/m1/s1
InChIKeyDHEFNHHAJBRKQK-OLZOCXBDSA-N
MW254.42 g/mol
LogP2.79
Rot. Bonds6

About cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide

cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide (PubChem CID 97159337) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide
PubChem CID97159337
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Namecis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C15H30N2O/c1-5-14(6-2)17(10-11(3)4)15(18)12-7-8-13(16)9-12/h11-14H,5-10,16H2,1-4H3/t12-,13+/m1/s1
InChIKeyDHEFNHHAJBRKQK-OLZOCXBDSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-methylpropyl)-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119730925
6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide
CID 79488415
3-amino-N-butan-2-yl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 66010253
3-amino-N-(2-hydroxypropyl)-N-methylcyclopentane-1-carboxamide
CID 66007556
3-amino-N,N-bis(2-methylpropyl)cyclohexane-1-carboxamide
CID 55134536
3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62777350
4-amino-N-(2-methylpropyl)-N-pentan-3-yloxolane-3-carboxamide
CID 79490741
2-[2-methylpropyl(pentan-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 79490717
3-amino-N-methyl-N-propylcyclopentane-1-carboxamide
CID 66031475
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
3-amino-N-(1-cyclopropylethyl)-N-methylcyclopentane-1-carboxamide
CID 66032087
3-amino-N-cyclobutyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 119799910

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide (CID 97159337) is cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide is CCC(CC)N(CC(C)C)C(=O)[C@@H]1CC[C@H](N)C1.
What is the InChIKey of cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide?
The InChIKey is DHEFNHHAJBRKQK-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-14(6-2)17(10-11(3)4)15(18)12-7-8-13(16)9-12/h11-14H,5-10,16H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide?
cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 97159337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).