N-(3-methoxypropyl)pentan-1-amine

C9H21NO — CID 14806244

IUPACN-(3-methoxypropyl)pentan-1-amine
SMILESCCCCCNCCCOC
InChIInChI=1S/C9H21NO/c1-3-4-5-7-10-8-6-9-11-2/h10H,3-9H2,1-2H3
InChIKeyZAAUEOJGRAIXHU-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds8

About N-(3-methoxypropyl)pentan-1-amine

N-(3-methoxypropyl)pentan-1-amine (PubChem CID 14806244) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)pentan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)pentan-1-amine
PubChem CID14806244
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-(3-methoxypropyl)pentan-1-amine
SMILESCCCCCNCCCOC
InChIInChI=1S/C9H21NO/c1-3-4-5-7-10-8-6-9-11-2/h10H,3-9H2,1-2H3
InChIKeyZAAUEOJGRAIXHU-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Propoxypiperidine
CID 11492037
4-(Propan-2-yloxy)piperidine
CID 21501982
3-Methoxy-N-(3-methoxypropyl)-1-propanamine
CID 18320509
N-(3-Methoxypropyl)cyclohexanamine
CID 28674201
3-Ethoxy-n-ethylpropan-1-amine
CID 254952
4-(Butan-2-yloxy)piperidine
CID 43346315
N-(3-methoxypropyl)cyclohexanamine hydrochloride
CID 138987566
N-ethyl-6-methoxyhexan-1-amine
CID 64292143
3-(Pentylamino)propan-1-ol
CID 188087
(3S)-N-[(1S)-1-ethoxyethyl]-3-fluoropentan-1-amine
CID 170129101
N-(3-methoxypropyl)cycloheptanamine
CID 28673224
N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 61491263

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)pentan-1-amine?
The IUPAC name of N-(3-methoxypropyl)pentan-1-amine (CID 14806244) is N-(3-methoxypropyl)pentan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)pentan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)pentan-1-amine is CCCCCNCCCOC.
What is the InChIKey of N-(3-methoxypropyl)pentan-1-amine?
The InChIKey is ZAAUEOJGRAIXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-3-4-5-7-10-8-6-9-11-2/h10H,3-9H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)pentan-1-amine?
N-(3-methoxypropyl)pentan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)pentan-1-amine is sourced from PubChem (CID 14806244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).