N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine

C11H22BrN — CID 82936411

IUPACN-(3-bromopropyl)-N-propan-2-ylcyclopentanamine
SMILESCC(C)N(CCCBr)C1CCCC1
InChIInChI=1S/C11H22BrN/c1-10(2)13(9-5-8-12)11-6-3-4-7-11/h10-11H,3-9H2,1-2H3
InChIKeyZLWWQRUKOFKNBB-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.42
Rot. Bonds5

About N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine

N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine (PubChem CID 82936411) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-propan-2-ylcyclopentanamine
PubChem CID82936411
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC NameN-(3-bromopropyl)-N-propan-2-ylcyclopentanamine
SMILESCC(C)N(CCCBr)C1CCCC1
InChIInChI=1S/C11H22BrN/c1-10(2)13(9-5-8-12)11-6-3-4-7-11/h10-11H,3-9H2,1-2H3
InChIKeyZLWWQRUKOFKNBB-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.42
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-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine
CID 102860106
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine
CID 56570213
N'-cyclopropyl-N'-propan-2-ylpropane-1,3-diamine
CID 43137500
2-[2-[cyclopentyl(propan-2-yl)amino]ethoxy]ethanol
CID 111439646
N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide
CID 59205246
N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine
CID 102861028
N'-cyclohexyl-N'-propan-2-ylmethanediamine
CID 54225013
N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 176601683
N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane
CID 143070375
N'-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
CID 10419294

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine?
The IUPAC name of N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine (CID 82936411) is N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine.
What is the SMILES notation for N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine?
The canonical SMILES for N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine is CC(C)N(CCCBr)C1CCCC1.
What is the InChIKey of N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine?
The InChIKey is ZLWWQRUKOFKNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-10(2)13(9-5-8-12)11-6-3-4-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine?
N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine has a molecular weight of 248.21 g/mol, XLogP of 3.42, 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-propan-2-ylcyclopentanamine is sourced from PubChem (CID 82936411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).