6-(3-aminopropoxy)heptan-1-amine

C10H24N2O — CID 142972624

IUPAC6-(3-aminopropoxy)heptan-1-amine
SMILESCC(CCCCCN)OCCCN
InChIInChI=1S/C10H24N2O/c1-10(13-9-5-8-12)6-3-2-4-7-11/h10H,2-9,11-12H2,1H3
InChIKeyRULJABUJIAYWCE-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.26
Rot. Bonds9

About 6-(3-aminopropoxy)heptan-1-amine

6-(3-aminopropoxy)heptan-1-amine (PubChem CID 142972624) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 6-(3-aminopropoxy)heptan-1-amine.

Molecular Properties

Compound Name6-(3-aminopropoxy)heptan-1-amine
PubChem CID142972624
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name6-(3-aminopropoxy)heptan-1-amine
SMILESCC(CCCCCN)OCCCN
InChIInChI=1S/C10H24N2O/c1-10(13-9-5-8-12)6-3-2-4-7-11/h10H,2-9,11-12H2,1H3
InChIKeyRULJABUJIAYWCE-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminopropoxy)butan-1-amine
CID 165053672
2-octan-2-yloxyethanamine
CID 43127313
3-butan-2-yloxypropan-1-amine
CID 54795719
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406337
3-propan-2-yloxypropan-1-amine;hydrochloride
CID 18670799
1-hexan-2-yloxydecane
CID 57029724
3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
CID 152877442
36-methylheptatriacontan-1-amine
CID 134324173

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropoxy)heptan-1-amine?
The IUPAC name of 6-(3-aminopropoxy)heptan-1-amine (CID 142972624) is 6-(3-aminopropoxy)heptan-1-amine.
What is the SMILES notation for 6-(3-aminopropoxy)heptan-1-amine?
The canonical SMILES for 6-(3-aminopropoxy)heptan-1-amine is CC(CCCCCN)OCCCN.
What is the InChIKey of 6-(3-aminopropoxy)heptan-1-amine?
The InChIKey is RULJABUJIAYWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-10(13-9-5-8-12)6-3-2-4-7-11/h10H,2-9,11-12H2,1H3.
What are the key properties of 6-(3-aminopropoxy)heptan-1-amine?
6-(3-aminopropoxy)heptan-1-amine has a molecular weight of 188.31 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropoxy)heptan-1-amine is sourced from PubChem (CID 142972624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).