1-[4-(3-aminopropoxy)butoxy]propan-1-amine

C10H24N2O2 — CID 22758954

IUPAC1-[4-(3-aminopropoxy)butoxy]propan-1-amine
SMILESCCC(N)OCCCCOCCCN
InChIInChI=1S/C10H24N2O2/c1-2-10(12)14-9-4-3-7-13-8-5-6-11/h10H,2-9,11-12H2,1H3
InChIKeyHUWRDOQPVWEBRE-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.84
Rot. Bonds10

About 1-[4-(3-aminopropoxy)butoxy]propan-1-amine

1-[4-(3-aminopropoxy)butoxy]propan-1-amine (PubChem CID 22758954) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)butoxy]propan-1-amine.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)butoxy]propan-1-amine
PubChem CID22758954
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name1-[4-(3-aminopropoxy)butoxy]propan-1-amine
SMILESCCC(N)OCCCCOCCCN
InChIInChI=1S/C10H24N2O2/c1-2-10(12)14-9-4-3-7-13-8-5-6-11/h10H,2-9,11-12H2,1H3
InChIKeyHUWRDOQPVWEBRE-UHFFFAOYSA-N
XLogP0.84
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-tetradecoxypropan-1-amine;hydrobromide
CID 173193932
3-[3-(3-aminopropoxy)pentoxy]propan-1-amine
CID 57073090
3-(2-butan-2-yloxyethoxy)propan-1-amine
CID 88947745
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
1-propoxypropan-1-amine;1-propoxypropane;hydrate
CID 88800294
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
1-(6-ethoxyhexoxy)ethane-1,2-diamine
CID 87666943
3-(6-ethyloctoxy)propan-1-amine
CID 174834787
1-pentoxybutane-1,4-diamine
CID 141071878
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
3-butan-2-yloxypropan-1-amine
CID 54795719

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)butoxy]propan-1-amine?
The IUPAC name of 1-[4-(3-aminopropoxy)butoxy]propan-1-amine (CID 22758954) is 1-[4-(3-aminopropoxy)butoxy]propan-1-amine.
What is the SMILES notation for 1-[4-(3-aminopropoxy)butoxy]propan-1-amine?
The canonical SMILES for 1-[4-(3-aminopropoxy)butoxy]propan-1-amine is CCC(N)OCCCCOCCCN.
What is the InChIKey of 1-[4-(3-aminopropoxy)butoxy]propan-1-amine?
The InChIKey is HUWRDOQPVWEBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-2-10(12)14-9-4-3-7-13-8-5-6-11/h10H,2-9,11-12H2,1H3.
What are the key properties of 1-[4-(3-aminopropoxy)butoxy]propan-1-amine?
1-[4-(3-aminopropoxy)butoxy]propan-1-amine has a molecular weight of 204.31 g/mol, XLogP of 0.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)butoxy]propan-1-amine is sourced from PubChem (CID 22758954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).