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

C17H36BrNO2 — CID 82938035

IUPAC2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine
SMILESCCCC(CBr)(CCC)CN(CCOCC)CCOCC
InChIInChI=1S/C17H36BrNO2/c1-5-9-17(15-18,10-6-2)16-19(11-13-20-7-3)12-14-21-8-4/h5-16H2,1-4H3
InChIKeyBHJGDOAJHIZYHB-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.34
Rot. Bonds15

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

2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine (PubChem CID 82938035) has the molecular formula C17H36BrNO2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine
PubChem CID82938035
Molecular FormulaC17H36BrNO2
Molecular Weight366.38 g/mol
Exact Mass365.19
IUPAC Name2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine
SMILESCCCC(CBr)(CCC)CN(CCOCC)CCOCC
InChIInChI=1S/C17H36BrNO2/c1-5-9-17(15-18,10-6-2)16-19(11-13-20-7-3)12-14-21-8-4/h5-16H2,1-4H3
InChIKeyBHJGDOAJHIZYHB-UHFFFAOYSA-N
XLogP4.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid
CID 82952538
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine
CID 65005368
1-bromo-2,2-bis(bromomethyl)pentane
CID 88845529
4,4-bis(bromomethyl)heptane
CID 79004116
2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 65005129
2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine
CID 65005287
3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid
CID 82951535
3,3-bis(bromomethyl)-1-(2-methylpropoxy)hexane
CID 106459822
2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
CID 146492334
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63690537
1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine
CID 82952294

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine (CID 82938035) is 2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine is CCCC(CBr)(CCC)CN(CCOCC)CCOCC.
What is the InChIKey of 2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine?
The InChIKey is BHJGDOAJHIZYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36BrNO2/c1-5-9-17(15-18,10-6-2)16-19(11-13-20-7-3)12-14-21-8-4/h5-16H2,1-4H3.
What are the key properties of 2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine?
2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine has a molecular weight of 366.38 g/mol, XLogP of 4.34, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine is sourced from PubChem (CID 82938035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).