N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine

C13H26BrN — CID 80691017

IUPACN-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine
SMILESCCC(CC)N(CCBr)CC1CCCC1
InChIInChI=1S/C13H26BrN/c1-3-13(4-2)15(10-9-14)11-12-7-5-6-8-12/h12-13H,3-11H2,1-2H3
InChIKeyOHBSVDPPSDVQKS-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.06
Rot. Bonds7

About N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine

N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine (PubChem CID 80691017) has the molecular formula C13H26BrN and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine
PubChem CID80691017
Molecular FormulaC13H26BrN
Molecular Weight276.26 g/mol
Exact Mass275.12
IUPAC NameN-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine
SMILESCCC(CC)N(CCBr)CC1CCCC1
InChIInChI=1S/C13H26BrN/c1-3-13(4-2)15(10-9-14)11-12-7-5-6-8-12/h12-13H,3-11H2,1-2H3
InChIKeyOHBSVDPPSDVQKS-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.06
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

2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol
CID 62016472
N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine
CID 114015262
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 80691309
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 55002492
2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62430407
N-(2-bromoethyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pentan-3-amine
CID 80691843
N-(2-bromoethyl)-N-(cyclobutylmethyl)cyclopentanamine
CID 80672742
N-(2-bromoethyl)-N-(3-methylbutyl)pentan-3-amine
CID 80691707
2-N-(cyclopentylmethyl)-2-N-methylbutane-1,2-diamine
CID 63632440
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine
CID 83168231
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine?
The IUPAC name of N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine (CID 80691017) is N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine is CCC(CC)N(CCBr)CC1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine?
The InChIKey is OHBSVDPPSDVQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrN/c1-3-13(4-2)15(10-9-14)11-12-7-5-6-8-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine?
N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine has a molecular weight of 276.26 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine is sourced from PubChem (CID 80691017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).