N-[4-(butylamino)butoxy]pentan-1-amine

C13H30N2O — CID 150066293

IUPACN-[4-(butylamino)butoxy]pentan-1-amine
SMILESCCCCCNOCCCCNCCCC
InChIInChI=1S/C13H30N2O/c1-3-5-7-12-15-16-13-9-8-11-14-10-6-4-2/h14-15H,3-13H2,1-2H3
InChIKeyDOIWFVDLMKEMOC-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.87
Rot. Bonds13

About N-[4-(butylamino)butoxy]pentan-1-amine

N-[4-(butylamino)butoxy]pentan-1-amine (PubChem CID 150066293) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N-[4-(butylamino)butoxy]pentan-1-amine.

Molecular Properties

Compound NameN-[4-(butylamino)butoxy]pentan-1-amine
PubChem CID150066293
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN-[4-(butylamino)butoxy]pentan-1-amine
SMILESCCCCCNOCCCCNCCCC
InChIInChI=1S/C13H30N2O/c1-3-5-7-12-15-16-13-9-8-11-14-10-6-4-2/h14-15H,3-13H2,1-2H3
InChIKeyDOIWFVDLMKEMOC-UHFFFAOYSA-N
XLogP2.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.87
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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Related Compounds

N-methyl-4-(methylaminooxy)butan-1-amine
CID 57579189
(4-Methoxy-butyl)-pentyl-amine
CID 61813306
N,N-dimethyl-4-(propylaminooxy)butan-1-amine
CID 90971318
N'-(4-ethoxybutyl)-N-methylpentane-1,5-diamine
CID 134189098
Dibutyl(ethoxy)azanium
CID 151968749
N-[4-(2-methylpropylamino)butoxy]hexan-1-amine
CID 155249279
N'-methoxy-N'-pentyl-N-propylpropane-1,3-diamine
CID 155454899
2-Oxido-1-oxa-7-aza-2-azoniacycloundecane
CID 164005071
N-(4-butoxybutyl)pentan-1-amine
CID 164907149
4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine
CID 166023894
Dibutyl(propoxy)azanium
CID 173372883
Butoxy(dibutyl)azanium
CID 173372885

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)butoxy]pentan-1-amine?
The IUPAC name of N-[4-(butylamino)butoxy]pentan-1-amine (CID 150066293) is N-[4-(butylamino)butoxy]pentan-1-amine.
What is the SMILES notation for N-[4-(butylamino)butoxy]pentan-1-amine?
The canonical SMILES for N-[4-(butylamino)butoxy]pentan-1-amine is CCCCCNOCCCCNCCCC.
What is the InChIKey of N-[4-(butylamino)butoxy]pentan-1-amine?
The InChIKey is DOIWFVDLMKEMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-3-5-7-12-15-16-13-9-8-11-14-10-6-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of N-[4-(butylamino)butoxy]pentan-1-amine?
N-[4-(butylamino)butoxy]pentan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.87, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)butoxy]pentan-1-amine is sourced from PubChem (CID 150066293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).