N-butyl-4-propan-2-yloxyhexan-3-amine

C13H29NO — CID 173398820

IUPACN-butyl-4-propan-2-yloxyhexan-3-amine
SMILESCCCCNC(CC)C(CC)OC(C)C
InChIInChI=1S/C13H29NO/c1-6-9-10-14-12(7-2)13(8-3)15-11(4)5/h11-14H,6-10H2,1-5H3
InChIKeySKMFCVKJCVNUMP-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds9

About N-butyl-4-propan-2-yloxyhexan-3-amine

N-butyl-4-propan-2-yloxyhexan-3-amine (PubChem CID 173398820) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-butyl-4-propan-2-yloxyhexan-3-amine.

Molecular Properties

Compound NameN-butyl-4-propan-2-yloxyhexan-3-amine
PubChem CID173398820
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-butyl-4-propan-2-yloxyhexan-3-amine
SMILESCCCCNC(CC)C(CC)OC(C)C
InChIInChI=1S/C13H29NO/c1-6-9-10-14-12(7-2)13(8-3)15-11(4)5/h11-14H,6-10H2,1-5H3
InChIKeySKMFCVKJCVNUMP-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-propan-2-yloxyhexan-3-amine?
The IUPAC name of N-butyl-4-propan-2-yloxyhexan-3-amine (CID 173398820) is N-butyl-4-propan-2-yloxyhexan-3-amine.
What is the SMILES notation for N-butyl-4-propan-2-yloxyhexan-3-amine?
The canonical SMILES for N-butyl-4-propan-2-yloxyhexan-3-amine is CCCCNC(CC)C(CC)OC(C)C.
What is the InChIKey of N-butyl-4-propan-2-yloxyhexan-3-amine?
The InChIKey is SKMFCVKJCVNUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-9-10-14-12(7-2)13(8-3)15-11(4)5/h11-14H,6-10H2,1-5H3.
What are the key properties of N-butyl-4-propan-2-yloxyhexan-3-amine?
N-butyl-4-propan-2-yloxyhexan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-propan-2-yloxyhexan-3-amine is sourced from PubChem (CID 173398820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).