heptan-3-amine;yttrium

C7H16NY- — CID 164593353

IUPACheptan-3-amine;yttrium
SMILESCC[CH-]CC(N)CC.[Y]
InChIInChI=1S/C7H16N.Y/c1-3-5-6-7(8)4-2;/h5,7H,3-4,6,8H2,1-2H3;/q-1;
InChIKeyWPDDYHHWVRDDJA-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.73
Rot. Bonds4

About heptan-3-amine;yttrium

heptan-3-amine;yttrium (PubChem CID 164593353) has the molecular formula C7H16NY- and a molecular weight of 203.12 g/mol. Its IUPAC name is heptan-3-amine;yttrium.

Molecular Properties

Compound Nameheptan-3-amine;yttrium
PubChem CID164593353
Molecular FormulaC7H16NY-
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Nameheptan-3-amine;yttrium
SMILESCC[CH-]CC(N)CC.[Y]
InChIInChI=1S/C7H16N.Y/c1-3-5-6-7(8)4-2;/h5,7H,3-4,6,8H2,1-2H3;/q-1;
InChIKeyWPDDYHHWVRDDJA-UHFFFAOYSA-N
XLogP1.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentan-3-amine;hydroiodide
CID 173436389
(5R)-heptane-3,5-diamine
CID 118180613
azanide;pentane;tetrakis(yttrium)
CID 59557790
tetradecane-3,6,9,12-tetramine
CID 140993886
tridecan-3-amine
CID 19435959
(2S)-1-chlorobutan-2-amine
CID 130722137
hexane-1,4-diamine;hydrochloride
CID 118144198
hexane-1,4-diamine;trihydrate
CID 173409010
tritriactan-3-amine;hydrochloride
CID 173389490
tetradecan-3-amine;hydrobromide
CID 173393490
tetradecane-3,11-diamine
CID 170279817
ethane;hexan-3-amine
CID 143616305

Frequently Asked Questions

What is the IUPAC name of heptan-3-amine;yttrium?
The IUPAC name of heptan-3-amine;yttrium (CID 164593353) is heptan-3-amine;yttrium.
What is the SMILES notation for heptan-3-amine;yttrium?
The canonical SMILES for heptan-3-amine;yttrium is CC[CH-]CC(N)CC.[Y].
What is the InChIKey of heptan-3-amine;yttrium?
The InChIKey is WPDDYHHWVRDDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.Y/c1-3-5-6-7(8)4-2;/h5,7H,3-4,6,8H2,1-2H3;/q-1;.
What are the key properties of heptan-3-amine;yttrium?
heptan-3-amine;yttrium has a molecular weight of 203.12 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-3-amine;yttrium is sourced from PubChem (CID 164593353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).