N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine

C14H28ClNO — CID 65165224

IUPACN-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine
SMILESCCC(CC)N(CCCl)CCCC1CCCO1
InChIInChI=1S/C14H28ClNO/c1-3-13(4-2)16(11-9-15)10-5-7-14-8-6-12-17-14/h13-14H,3-12H2,1-2H3
InChIKeyHPMDUNJEZLUNNP-UHFFFAOYSA-N
MW261.84 g/mol
LogP3.67
Rot. Bonds9

About N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine

N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine (PubChem CID 65165224) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine
PubChem CID65165224
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC NameN-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine
SMILESCCC(CC)N(CCCl)CCCC1CCCO1
InChIInChI=1S/C14H28ClNO/c1-3-13(4-2)16(11-9-15)10-5-7-14-8-6-12-17-14/h13-14H,3-12H2,1-2H3
InChIKeyHPMDUNJEZLUNNP-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine?
The IUPAC name of N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine (CID 65165224) is N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine?
The canonical SMILES for N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine is CCC(CC)N(CCCl)CCCC1CCCO1.
What is the InChIKey of N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine?
The InChIKey is HPMDUNJEZLUNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-3-13(4-2)16(11-9-15)10-5-7-14-8-6-12-17-14/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine?
N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine has a molecular weight of 261.84 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[3-(oxolan-2-yl)propyl]pentan-3-amine is sourced from PubChem (CID 65165224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).