N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine

C13H28BrN — CID 83168231

IUPACN-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine
SMILESCCC(CC)N(CCBr)CCCC(C)C
InChIInChI=1S/C13H28BrN/c1-5-13(6-2)15(11-9-14)10-7-8-12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyJYOYLDMQRDAYTL-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.31
Rot. Bonds9

About N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine

N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine (PubChem CID 83168231) has the molecular formula C13H28BrN and a molecular weight of 278.28 g/mol. Its IUPAC name is N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine
PubChem CID83168231
Molecular FormulaC13H28BrN
Molecular Weight278.28 g/mol
Exact Mass277.14
IUPAC NameN-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine
SMILESCCC(CC)N(CCBr)CCCC(C)C
InChIInChI=1S/C13H28BrN/c1-5-13(6-2)15(11-9-14)10-7-8-12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyJYOYLDMQRDAYTL-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.31
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

N-(2-bromoethyl)-N-(3-methylbutyl)pentan-3-amine
CID 80691707
N-(2-bromoethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 80691150
N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine
CID 106457771
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 80691309
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N,N,N',N'-tetrakis(4-methylpentyl)methanediamine
CID 135274412
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855
N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine
CID 107487764
5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine
CID 79483858
N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine
CID 80691017
4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 123350796
N-(4-methylpentyl)-N-octyloctan-1-amine
CID 139723154

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine?
The IUPAC name of N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine (CID 83168231) is N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine.
What is the SMILES notation for N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine?
The canonical SMILES for N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine is CCC(CC)N(CCBr)CCCC(C)C.
What is the InChIKey of N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine?
The InChIKey is JYOYLDMQRDAYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28BrN/c1-5-13(6-2)15(11-9-14)10-7-8-12(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine?
N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine has a molecular weight of 278.28 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine is sourced from PubChem (CID 83168231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).