4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine

C10H22ClN — CID 107887573

IUPAC4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine
SMILESCCCC(C)NC(C)C(C)CCl
InChIInChI=1S/C10H22ClN/c1-5-6-9(3)12-10(4)8(2)7-11/h8-10,12H,5-7H2,1-4H3
InChIKeyPTHAJTHHZHBREI-UHFFFAOYSA-N
MW191.75 g/mol
LogP3.03
Rot. Bonds6

About 4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine

4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine (PubChem CID 107887573) has the molecular formula C10H22ClN and a molecular weight of 191.75 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine
PubChem CID107887573
Molecular FormulaC10H22ClN
Molecular Weight191.75 g/mol
Exact Mass191.14
IUPAC Name4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine
SMILESCCCC(C)NC(C)C(C)CCl
InChIInChI=1S/C10H22ClN/c1-5-6-9(3)12-10(4)8(2)7-11/h8-10,12H,5-7H2,1-4H3
InChIKeyPTHAJTHHZHBREI-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-propan-2-ylpentan-1-amine;hydrochloride
CID 24183643
Butyl[1-(2,2-dichlorocyclopropyl)ethyl]amine
CID 129766595
N-butan-2-yl-5-chloropentan-1-amine;hydrochloride
CID 24186897
1-chloro-N-(2,2-difluoroethyl)-4-methylpentan-2-amine
CID 65025722
1-chloro-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 65025891
4-chloro-2-ethyl-N-(2-fluoroethyl)butan-1-amine
CID 80694666
1-chloro-N-(2-fluoroethyl)-4-methylpentan-2-amine
CID 80695806
4-chloro-N-(3-fluoropropyl)-2-methylbutan-1-amine
CID 81113215
1-chloro-N-(3-fluoropropyl)-3-methylbutan-2-amine
CID 81113327
5-chloro-N-(3-fluoropropyl)pentan-2-amine
CID 81113328
4-chloro-2-ethyl-N-(3-fluoropropyl)butan-1-amine
CID 81113329
1-chloro-N-(3-fluoropropyl)-4-methylpentan-2-amine
CID 81114050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine?
The IUPAC name of 4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine (CID 107887573) is 4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine.
What is the SMILES notation for 4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine?
The canonical SMILES for 4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine is CCCC(C)NC(C)C(C)CCl.
What is the InChIKey of 4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine?
The InChIKey is PTHAJTHHZHBREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClN/c1-5-6-9(3)12-10(4)8(2)7-11/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine?
4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine has a molecular weight of 191.75 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine is sourced from PubChem (CID 107887573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).