N-(3-bromopropyl)-N,3-dimethylbutan-2-amine

C9H20BrN — CID 61287756

IUPACN-(3-bromopropyl)-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)CCCBr
InChIInChI=1S/C9H20BrN/c1-8(2)9(3)11(4)7-5-6-10/h8-9H,5-7H2,1-4H3
InChIKeyFSJCVCYZSWSXSX-UHFFFAOYSA-N
MW222.17 g/mol
LogP2.75
Rot. Bonds5

About N-(3-bromopropyl)-N,3-dimethylbutan-2-amine

N-(3-bromopropyl)-N,3-dimethylbutan-2-amine (PubChem CID 61287756) has the molecular formula C9H20BrN and a molecular weight of 222.17 g/mol. Its IUPAC name is N-(3-bromopropyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N,3-dimethylbutan-2-amine
PubChem CID61287756
Molecular FormulaC9H20BrN
Molecular Weight222.17 g/mol
Exact Mass221.08
IUPAC NameN-(3-bromopropyl)-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)CCCBr
InChIInChI=1S/C9H20BrN/c1-8(2)9(3)11(4)7-5-6-10/h8-9H,5-7H2,1-4H3
InChIKeyFSJCVCYZSWSXSX-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-Bromopropyl)(butan-2-yl)methylamine hydrobromide
CID 165772773
(3-Bromopropyl)(methyl)(propan-2-yl)amine
CID 61287527
3-(Bromomethyl)-1-(propan-2-yl)pyrrolidine
CID 56737786
(3-Bromopropyl)(butan-2-yl)methylamine
CID 61287750
3-bromo-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64996040
2-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 64997828
1-Methyl-3-bromopropyldiethylamine
CID 13520103
1-Isobutyl-3-bromopropyldiethylamine hydrobromide
CID 20135757
1-bromo-N,N-diethyl-5-methylhexan-3-amine
CID 20135758
1-bromo-N,N,5-trimethylhexan-3-amine
CID 20135760
1-Methyl-3-bromopropyldiethylamine hydrobromide
CID 20135845
(2R,3S)-N-(2-bromoethyl)-N-ethyl-3-methylpentan-2-amine
CID 59895636

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of N-(3-bromopropyl)-N,3-dimethylbutan-2-amine (CID 61287756) is N-(3-bromopropyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-(3-bromopropyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-(3-bromopropyl)-N,3-dimethylbutan-2-amine is CC(C)C(C)N(C)CCCBr.
What is the InChIKey of N-(3-bromopropyl)-N,3-dimethylbutan-2-amine?
The InChIKey is FSJCVCYZSWSXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrN/c1-8(2)9(3)11(4)7-5-6-10/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(3-bromopropyl)-N,3-dimethylbutan-2-amine?
N-(3-bromopropyl)-N,3-dimethylbutan-2-amine has a molecular weight of 222.17 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 61287756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).