(2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide

C19H37N3 — CID 129144345

IUPAC(2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide
SMILESC/N=C(\N[C@@H](C)[C@@H](C)C(C)CCC1CCCC1)[C@@H]1CCCN1
InChIInChI=1S/C19H37N3/c1-14(11-12-17-8-5-6-9-17)15(2)16(3)22-19(20-4)18-10-7-13-21-18/h14-18,21H,5-13H2,1-4H3,(H,20,22)/t14?,15-,16-,18-/m0/s1
InChIKeyOUTDNXQGBJRMQX-OVQIEAOZSA-N
MW307.53 g/mol
LogP3.99
Rot. Bonds7

About (2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide

(2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide (PubChem CID 129144345) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is (2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name(2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide
PubChem CID129144345
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name(2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide
SMILESC/N=C(\N[C@@H](C)[C@@H](C)C(C)CCC1CCCC1)[C@@H]1CCCN1
InChIInChI=1S/C19H37N3/c1-14(11-12-17-8-5-6-9-17)15(2)16(3)22-19(20-4)18-10-7-13-21-18/h14-18,21H,5-13H2,1-4H3,(H,20,22)/t14?,15-,16-,18-/m0/s1
InChIKeyOUTDNXQGBJRMQX-OVQIEAOZSA-N
XLogP3.99
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608
1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide
CID 109482303
1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine
CID 109482315
(2S)-N-[(1S)-1-cyclopentylethyl]pyrrolidine-2-carboxamide
CID 81388860
N-(1-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 103796571
N-(3-methylpentan-2-yl)azepane-2-carboxamide
CID 64564622
1-cyclopentyl-4-methylhexan-3-ol
CID 115823411
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
N-(5,5-dimethylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119330827
N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 110012241
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide?
The IUPAC name of (2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide (CID 129144345) is (2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide.
What is the SMILES notation for (2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide?
The canonical SMILES for (2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide is C/N=C(\N[C@@H](C)[C@@H](C)C(C)CCC1CCCC1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide?
The InChIKey is OUTDNXQGBJRMQX-OVQIEAOZSA-N. The full InChI is InChI=1S/C19H37N3/c1-14(11-12-17-8-5-6-9-17)15(2)16(3)22-19(20-4)18-10-7-13-21-18/h14-18,21H,5-13H2,1-4H3,(H,20,22)/t14?,15-,16-,18-/m0/s1.
What are the key properties of (2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide?
(2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide has a molecular weight of 307.53 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S,3S)-6-cyclopentyl-3,4-dimethylhexan-2-yl]-N'-methylpyrrolidine-2-carboximidamide is sourced from PubChem (CID 129144345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).