CID 5476688

C4H10N — CID 5476688

IUPAC—
SMILESCC(C)C[NH]
InChIInChI=1S/C4H10N/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKeyQIZWQWQBJQWJBN-UHFFFAOYSA-N
MW72.13 g/mol
LogP0.93
Rot. Bonds1

About CID 5476688

CID 5476688 (PubChem CID 5476688) has the molecular formula C4H10N and a molecular weight of 72.13 g/mol.

Molecular Properties

Compound NameCID 5476688
PubChem CID5476688
Molecular FormulaC4H10N
Molecular Weight72.13 g/mol
Exact Mass72.08
IUPAC Name—
SMILESCC(C)C[NH]
InChIInChI=1S/C4H10N/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKeyQIZWQWQBJQWJBN-UHFFFAOYSA-N
XLogP0.93
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.13
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Butylamine
CID 8007
Propylamine
CID 7852
Isoamylamine
CID 7894
Isobutylamine
CID 6558
1,2-Dimethylpropylamine
CID 11731
2-Methylbutylamine
CID 7283
Neopentylamine
CID 79882
1-Butanamine, 3-methyl-, hydrochloride (1:1)
CID 10922
2-Methylbutylamine, (S)-
CID 2724272
1-Propanamine, 2-methyl-, conjugate acid
CID 7311734
1,2-Dimethylpropylamine, (R)-
CID 6999786
Butylammonium
CID 3614750

Frequently Asked Questions

What is the IUPAC name of CID 5476688?
The IUPAC name of CID 5476688 (CID 5476688) is not available.
What is the SMILES notation for CID 5476688?
The canonical SMILES for CID 5476688 is CC(C)C[NH].
What is the InChIKey of CID 5476688?
The InChIKey is QIZWQWQBJQWJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N/c1-4(2)3-5/h4-5H,3H2,1-2H3.
What are the key properties of CID 5476688?
CID 5476688 has a molecular weight of 72.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5476688 is sourced from PubChem (CID 5476688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).