3-pentoxybutan-2-amine

C9H21NO — CID 61352378

IUPAC3-pentoxybutan-2-amine
SMILESCCCCCOC(C)C(C)N
InChIInChI=1S/C9H21NO/c1-4-5-6-7-11-9(3)8(2)10/h8-9H,4-7,10H2,1-3H3
InChIKeyKONYMJOTWTYZTD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.93
Rot. Bonds6

About 3-pentoxybutan-2-amine

3-pentoxybutan-2-amine (PubChem CID 61352378) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-pentoxybutan-2-amine.

Molecular Properties

Compound Name3-pentoxybutan-2-amine
PubChem CID61352378
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-pentoxybutan-2-amine
SMILESCCCCCOC(C)C(C)N
InChIInChI=1S/C9H21NO/c1-4-5-6-7-11-9(3)8(2)10/h8-9H,4-7,10H2,1-3H3
InChIKeyKONYMJOTWTYZTD-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.93
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

2-octoxypentan-3-amine
CID 43127877
3-(2-butoxyethoxy)butan-2-amine
CID 61351775
1-pentoxyethanamine
CID 57262541
octoxymethanediamine
CID 142625053
(2R,3R)-3-octoxybutan-2-ol
CID 54496266
methyl 2-hydroxy-3-octadecoxybutanoate
CID 175428260
2-(3-aminobutan-2-yloxy)ethanol
CID 142952551
3-(2-ethoxyethoxy)butan-2-amine
CID 61354172
1-amino-1-octoxypropan-2-ol
CID 174604466
(2S)-3-ethoxybutan-2-amine
CID 64712582
1-pentoxyethanol
CID 19598527
1-pentoxyethanethiol
CID 173039509

Frequently Asked Questions

What is the IUPAC name of 3-pentoxybutan-2-amine?
The IUPAC name of 3-pentoxybutan-2-amine (CID 61352378) is 3-pentoxybutan-2-amine.
What is the SMILES notation for 3-pentoxybutan-2-amine?
The canonical SMILES for 3-pentoxybutan-2-amine is CCCCCOC(C)C(C)N.
What is the InChIKey of 3-pentoxybutan-2-amine?
The InChIKey is KONYMJOTWTYZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-5-6-7-11-9(3)8(2)10/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3-pentoxybutan-2-amine?
3-pentoxybutan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxybutan-2-amine is sourced from PubChem (CID 61352378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).