7-(2-aminobutoxy)heptan-3-amine

C11H26N2O — CID 174656192

IUPAC7-(2-aminobutoxy)heptan-3-amine
SMILESCCC(N)CCCCOCC(N)CC
InChIInChI=1S/C11H26N2O/c1-3-10(12)7-5-6-8-14-9-11(13)4-2/h10-11H,3-9,12-13H2,1-2H3
InChIKeyFXVDQBGIPWEMJL-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.65
Rot. Bonds9

About 7-(2-aminobutoxy)heptan-3-amine

7-(2-aminobutoxy)heptan-3-amine (PubChem CID 174656192) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 7-(2-aminobutoxy)heptan-3-amine.

Molecular Properties

Compound Name7-(2-aminobutoxy)heptan-3-amine
PubChem CID174656192
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name7-(2-aminobutoxy)heptan-3-amine
SMILESCCC(N)CCCCOCC(N)CC
InChIInChI=1S/C11H26N2O/c1-3-10(12)7-5-6-8-14-9-11(13)4-2/h10-11H,3-9,12-13H2,1-2H3
InChIKeyFXVDQBGIPWEMJL-UHFFFAOYSA-N
XLogP1.65
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.65
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

6-(2-methylpropoxy)hexan-3-amine
CID 106454406
1-heptoxypentan-2-amine
CID 62044754
6-(2-ethylhexoxy)hexan-3-amine
CID 106800840
6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490622
1-(2-propoxyethoxy)butan-2-amine
CID 63685815
tridecan-3-amine
CID 19435959
1-methoxy-3-pentoxypropan-2-amine
CID 107506771
(3S)-1-(2,2-difluoroethoxy)pentan-3-amine
CID 103151201
tritriactan-3-amine;hydrochloride
CID 173389490
tetradecane-3,11-diamine
CID 170279817
tetradecan-3-amine;hydrobromide
CID 173393490
5-(2,3-diaminopropoxy)pentane-1,2-diamine
CID 88686744

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminobutoxy)heptan-3-amine?
The IUPAC name of 7-(2-aminobutoxy)heptan-3-amine (CID 174656192) is 7-(2-aminobutoxy)heptan-3-amine.
What is the SMILES notation for 7-(2-aminobutoxy)heptan-3-amine?
The canonical SMILES for 7-(2-aminobutoxy)heptan-3-amine is CCC(N)CCCCOCC(N)CC.
What is the InChIKey of 7-(2-aminobutoxy)heptan-3-amine?
The InChIKey is FXVDQBGIPWEMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-3-10(12)7-5-6-8-14-9-11(13)4-2/h10-11H,3-9,12-13H2,1-2H3.
What are the key properties of 7-(2-aminobutoxy)heptan-3-amine?
7-(2-aminobutoxy)heptan-3-amine has a molecular weight of 202.34 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminobutoxy)heptan-3-amine is sourced from PubChem (CID 174656192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).