2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine

C17H32BrN — CID 65005287

IUPAC2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine
SMILESCCCC(CBr)(CCC)CN(CC1CC1)CC1CC1
InChIInChI=1S/C17H32BrN/c1-3-9-17(13-18,10-4-2)14-19(11-15-5-6-15)12-16-7-8-16/h15-16H,3-14H2,1-2H3
InChIKeyMLTIJJUJLQAKIC-UHFFFAOYSA-N
MW330.35 g/mol
LogP5.09
Rot. Bonds11

About 2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine

2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine (PubChem CID 65005287) has the molecular formula C17H32BrN and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine
PubChem CID65005287
Molecular FormulaC17H32BrN
Molecular Weight330.35 g/mol
Exact Mass329.17
IUPAC Name2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine
SMILESCCCC(CBr)(CCC)CN(CC1CC1)CC1CC1
InChIInChI=1S/C17H32BrN/c1-3-9-17(13-18,10-4-2)14-19(11-15-5-6-15)12-16-7-8-16/h15-16H,3-14H2,1-2H3
InChIKeyMLTIJJUJLQAKIC-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine (CID 65005287) is 2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine is CCCC(CBr)(CCC)CN(CC1CC1)CC1CC1.
What is the InChIKey of 2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine?
The InChIKey is MLTIJJUJLQAKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32BrN/c1-3-9-17(13-18,10-4-2)14-19(11-15-5-6-15)12-16-7-8-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine?
2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine has a molecular weight of 330.35 g/mol, XLogP of 5.09, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine is sourced from PubChem (CID 65005287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).