N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine

C10H20ClNO — CID 63388013

IUPACN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CCCl)CC1CCCO1
InChIInChI=1S/C10H20ClNO/c1-9(2)12(6-5-11)8-10-4-3-7-13-10/h9-10H,3-8H2,1-2H3
InChIKeyRYFJLCVNFDPDQL-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.11
Rot. Bonds5

About N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine

N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine (PubChem CID 63388013) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
PubChem CID63388013
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CCCl)CC1CCCO1
InChIInChI=1S/C10H20ClNO/c1-9(2)12(6-5-11)8-10-4-3-7-13-10/h9-10H,3-8H2,1-2H3
InChIKeyRYFJLCVNFDPDQL-UHFFFAOYSA-N
XLogP2.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
CID 78960585
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 80671629
N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 55089415
3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile
CID 65160783
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 63388993
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
4-[[[(2R)-oxan-2-yl]methyl-propan-2-ylamino]methyl]aniline
CID 93204540
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine
CID 64709069

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine (CID 63388013) is N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine is CC(C)N(CCCl)CC1CCCO1.
What is the InChIKey of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine?
The InChIKey is RYFJLCVNFDPDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-9(2)12(6-5-11)8-10-4-3-7-13-10/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine?
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine has a molecular weight of 205.73 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 63388013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).