N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine

C9H18BrN — CID 61445615

IUPACN-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
SMILESCCCN(CCBr)CC1CC1
InChIInChI=1S/C9H18BrN/c1-2-6-11(7-5-10)8-9-3-4-9/h9H,2-8H2,1H3
InChIKeyKDJVPJXVAISJAQ-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.50
Rot. Bonds6

About N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine

N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine (PubChem CID 61445615) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
PubChem CID61445615
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC NameN-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
SMILESCCCN(CCBr)CC1CC1
InChIInChI=1S/C9H18BrN/c1-2-6-11(7-5-10)8-9-3-4-9/h9H,2-8H2,1H3
InChIKeyKDJVPJXVAISJAQ-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.50
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-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine
CID 170705762
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394
2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]ethanol
CID 61445061
4-[cyclopropylmethyl(propyl)amino]butanoic acid
CID 61441614
(2R)-1-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 103935017
N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 55089985
N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine
CID 81079900
N-(cyclopropylmethyl)-N-(pyrrolidin-1-ylmethyl)propan-1-amine
CID 91213184
N-(1-cyclopropylethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 62555040

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine?
The IUPAC name of N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine (CID 61445615) is N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine is CCCN(CCBr)CC1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine?
The InChIKey is KDJVPJXVAISJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrN/c1-2-6-11(7-5-10)8-9-3-4-9/h9H,2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine?
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine has a molecular weight of 220.15 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine is sourced from PubChem (CID 61445615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).