N-(2-chloro-3-methoxypropyl)pentan-2-amine

C9H20ClNO — CID 107887414

IUPACN-(2-chloro-3-methoxypropyl)pentan-2-amine
SMILESCCCC(C)NCC(Cl)COC
InChIInChI=1S/C9H20ClNO/c1-4-5-8(2)11-6-9(10)7-12-3/h8-9,11H,4-7H2,1-3H3
InChIKeyWDRFJWYHEPPKIH-UHFFFAOYSA-N
MW193.72 g/mol
LogP2.02
Rot. Bonds7

About N-(2-chloro-3-methoxypropyl)pentan-2-amine

N-(2-chloro-3-methoxypropyl)pentan-2-amine (PubChem CID 107887414) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)pentan-2-amine.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)pentan-2-amine
PubChem CID107887414
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC NameN-(2-chloro-3-methoxypropyl)pentan-2-amine
SMILESCCCC(C)NCC(Cl)COC
InChIInChI=1S/C9H20ClNO/c1-4-5-8(2)11-6-9(10)7-12-3/h8-9,11H,4-7H2,1-3H3
InChIKeyWDRFJWYHEPPKIH-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-methoxypropyl)butan-2-amine
CID 79443922
N-(2-chlorobutyl)pentan-2-amine
CID 107887575
N-(2,2-dimethoxyethyl)pentan-2-amine
CID 60816170
N-(2-chloro-3-methoxypropyl)-2-methylpentanamide
CID 114298733
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
1-methoxy-4-(pentan-2-ylamino)butan-2-ol
CID 115897158
N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine
CID 65023756
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 106286279
2-chloro-1-methoxyhexane
CID 13146998
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
CID 62570127

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)pentan-2-amine?
The IUPAC name of N-(2-chloro-3-methoxypropyl)pentan-2-amine (CID 107887414) is N-(2-chloro-3-methoxypropyl)pentan-2-amine.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)pentan-2-amine?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)pentan-2-amine is CCCC(C)NCC(Cl)COC.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)pentan-2-amine?
The InChIKey is WDRFJWYHEPPKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO/c1-4-5-8(2)11-6-9(10)7-12-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)pentan-2-amine?
N-(2-chloro-3-methoxypropyl)pentan-2-amine has a molecular weight of 193.72 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)pentan-2-amine is sourced from PubChem (CID 107887414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).