2-(butoxymethyl)pentane-1,5-diamine

C10H24N2O — CID 14177998

IUPAC2-(butoxymethyl)pentane-1,5-diamine
SMILESCCCCOCC(CN)CCCN
InChIInChI=1S/C10H24N2O/c1-2-3-7-13-9-10(8-12)5-4-6-11/h10H,2-9,11-12H2,1H3
InChIKeyUGZGOGAHBJAXMT-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.12
Rot. Bonds9

About 2-(butoxymethyl)pentane-1,5-diamine

2-(butoxymethyl)pentane-1,5-diamine (PubChem CID 14177998) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-(butoxymethyl)pentane-1,5-diamine.

Molecular Properties

Compound Name2-(butoxymethyl)pentane-1,5-diamine
PubChem CID14177998
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2-(butoxymethyl)pentane-1,5-diamine
SMILESCCCCOCC(CN)CCCN
InChIInChI=1S/C10H24N2O/c1-2-3-7-13-9-10(8-12)5-4-6-11/h10H,2-9,11-12H2,1H3
InChIKeyUGZGOGAHBJAXMT-UHFFFAOYSA-N
XLogP1.12
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(butoxymethyl)pentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2-ethylhexoxy)octan-1-amine
CID 87537137
10-(butoxymethyl)henicosane
CID 87840055
2-(2-dodecylhexadecoxy)ethanamine
CID 139605053
2-(2-hexyldecoxy)ethanamine
CID 139605050
2-(2-tetradecyloctadecoxy)ethanamine
CID 139605045
4-(butoxymethyl)nonane
CID 87066766
2-(hexadecoxymethyl)-3-methoxypropan-1-amine
CID 14835009
3-[6-ethyl-2-(3-ethylhexyl)nonoxy]propan-1-amine
CID 59180726
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)pentane-1,5-diamine?
The IUPAC name of 2-(butoxymethyl)pentane-1,5-diamine (CID 14177998) is 2-(butoxymethyl)pentane-1,5-diamine.
What is the SMILES notation for 2-(butoxymethyl)pentane-1,5-diamine?
The canonical SMILES for 2-(butoxymethyl)pentane-1,5-diamine is CCCCOCC(CN)CCCN.
What is the InChIKey of 2-(butoxymethyl)pentane-1,5-diamine?
The InChIKey is UGZGOGAHBJAXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-2-3-7-13-9-10(8-12)5-4-6-11/h10H,2-9,11-12H2,1H3.
What are the key properties of 2-(butoxymethyl)pentane-1,5-diamine?
2-(butoxymethyl)pentane-1,5-diamine has a molecular weight of 188.31 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)pentane-1,5-diamine is sourced from PubChem (CID 14177998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).