5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine

C10H22ClNO — CID 107319832

IUPAC5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine
SMILESCC(C)OCCNCCCCCCl
InChIInChI=1S/C10H22ClNO/c1-10(2)13-9-8-12-7-5-3-4-6-11/h10,12H,3-9H2,1-2H3
InChIKeyPAAHIJTZDZRMHM-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.41
Rot. Bonds9

About 5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine

5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine (PubChem CID 107319832) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine
PubChem CID107319832
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine
SMILESCC(C)OCCNCCCCCCl
InChIInChI=1S/C10H22ClNO/c1-10(2)13-9-8-12-7-5-3-4-6-11/h10,12H,3-9H2,1-2H3
InChIKeyPAAHIJTZDZRMHM-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 107319913
N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine
CID 149204249
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide
CID 107322763
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
CID 114008238
4-chloro-2-methyl-N-(2-propan-2-yloxyethyl)butan-1-amine
CID 66091090
N-(2-bromoethyl)-2-propan-2-yloxyethanamine
CID 114505264
N-methyl-5-(2-propan-2-yloxyethylamino)pentanamide
CID 146243882
6-chloro-N-(2-methoxypropyl)hexan-1-amine
CID 107845800
4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine
CID 55088632
3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine
CID 22091458
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine?
The IUPAC name of 5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine (CID 107319832) is 5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine?
The canonical SMILES for 5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine is CC(C)OCCNCCCCCCl.
What is the InChIKey of 5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine?
The InChIKey is PAAHIJTZDZRMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO/c1-10(2)13-9-8-12-7-5-3-4-6-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine?
5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine has a molecular weight of 207.74 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine is sourced from PubChem (CID 107319832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).