N-[4-(2-methylpropylamino)butoxy]hexan-1-amine

C14H32N2O — CID 155249279

IUPACN-[4-(2-methylpropylamino)butoxy]hexan-1-amine
SMILESCCCCCCNOCCCCNCC(C)C
InChIInChI=1S/C14H32N2O/c1-4-5-6-7-11-16-17-12-9-8-10-15-13-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyMYJRBXZVFZRNEJ-UHFFFAOYSA-N
MW244.42 g/mol
LogP3.11
Rot. Bonds13

About N-[4-(2-methylpropylamino)butoxy]hexan-1-amine

N-[4-(2-methylpropylamino)butoxy]hexan-1-amine (PubChem CID 155249279) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N-[4-(2-methylpropylamino)butoxy]hexan-1-amine.

Molecular Properties

Compound NameN-[4-(2-methylpropylamino)butoxy]hexan-1-amine
PubChem CID155249279
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN-[4-(2-methylpropylamino)butoxy]hexan-1-amine
SMILESCCCCCCNOCCCCNCC(C)C
InChIInChI=1S/C14H32N2O/c1-4-5-6-7-11-16-17-12-9-8-10-15-13-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyMYJRBXZVFZRNEJ-UHFFFAOYSA-N
XLogP3.11
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropylamino)butoxy]hexan-1-amine?
The IUPAC name of N-[4-(2-methylpropylamino)butoxy]hexan-1-amine (CID 155249279) is N-[4-(2-methylpropylamino)butoxy]hexan-1-amine.
What is the SMILES notation for N-[4-(2-methylpropylamino)butoxy]hexan-1-amine?
The canonical SMILES for N-[4-(2-methylpropylamino)butoxy]hexan-1-amine is CCCCCCNOCCCCNCC(C)C.
What is the InChIKey of N-[4-(2-methylpropylamino)butoxy]hexan-1-amine?
The InChIKey is MYJRBXZVFZRNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-4-5-6-7-11-16-17-12-9-8-10-15-13-14(2)3/h14-16H,4-13H2,1-3H3.
What are the key properties of N-[4-(2-methylpropylamino)butoxy]hexan-1-amine?
N-[4-(2-methylpropylamino)butoxy]hexan-1-amine has a molecular weight of 244.42 g/mol, XLogP of 3.11, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropylamino)butoxy]hexan-1-amine is sourced from PubChem (CID 155249279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).