N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine

C12H25NS — CID 155008720

IUPACN-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine
SMILESCSN(CC1CC1)C(C)CC(C)(C)C
InChIInChI=1S/C12H25NS/c1-10(8-12(2,3)4)13(14-5)9-11-6-7-11/h10-11H,6-9H2,1-5H3
InChIKeyWNOPDSQMWKRYEN-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.80
Rot. Bonds5

About N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine

N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine (PubChem CID 155008720) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine
PubChem CID155008720
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine
SMILESCSN(CC1CC1)C(C)CC(C)(C)C
InChIInChI=1S/C12H25NS/c1-10(8-12(2,3)4)13(14-5)9-11-6-7-11/h10-11H,6-9H2,1-5H3
InChIKeyWNOPDSQMWKRYEN-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol
CID 64826211
2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide
CID 107471602
N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine
CID 107473176
N-(cyclopropylmethyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 126597968
1-amino-4-[cyclopropylmethyl(methyl)amino]-2-methylpentan-2-ol
CID 64820897
2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 60709914
2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine
CID 107397832
3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide
CID 113496982
methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate
CID 64711469
2-N-(cyclopropylmethyl)-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 63956765
N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide
CID 146435466
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62411973

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine (CID 155008720) is N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine is CSN(CC1CC1)C(C)CC(C)(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine?
The InChIKey is WNOPDSQMWKRYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-10(8-12(2,3)4)13(14-5)9-11-6-7-11/h10-11H,6-9H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine?
N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine is sourced from PubChem (CID 155008720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).