4-pentoxy-N-propan-2-ylbutan-1-amine

C12H27NO — CID 62449715

IUPAC4-pentoxy-N-propan-2-ylbutan-1-amine
SMILESCCCCCOCCCCNC(C)C
InChIInChI=1S/C12H27NO/c1-4-5-7-10-14-11-8-6-9-13-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyMPFMDEFAJPJTPQ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds10

About 4-pentoxy-N-propan-2-ylbutan-1-amine

4-pentoxy-N-propan-2-ylbutan-1-amine (PubChem CID 62449715) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-pentoxy-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-pentoxy-N-propan-2-ylbutan-1-amine
PubChem CID62449715
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-pentoxy-N-propan-2-ylbutan-1-amine
SMILESCCCCCOCCCCNC(C)C
InChIInChI=1S/C12H27NO/c1-4-5-7-10-14-11-8-6-9-13-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyMPFMDEFAJPJTPQ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
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

N-(2-decoxyethyl)propan-2-amine
CID 63399572
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
N-propan-2-ylicosan-1-amine
CID 87246132
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
CID 62459863
1-(3-octoxypropylamino)ethanol
CID 88783287
4-octan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 55133286

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-pentoxy-N-propan-2-ylbutan-1-amine (CID 62449715) is 4-pentoxy-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-pentoxy-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-pentoxy-N-propan-2-ylbutan-1-amine is CCCCCOCCCCNC(C)C.
What is the InChIKey of 4-pentoxy-N-propan-2-ylbutan-1-amine?
The InChIKey is MPFMDEFAJPJTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-5-7-10-14-11-8-6-9-13-12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-pentoxy-N-propan-2-ylbutan-1-amine?
4-pentoxy-N-propan-2-ylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62449715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).