CID 163832582

C7H14BN — CID 163832582

IUPAC—
SMILES[B]NC(C)CC1CCC1
InChIInChI=1S/C7H14BN/c1-6(9-8)5-7-3-2-4-7/h6-7,9H,2-5H2,1H3
InChIKeyUZNHPYFWKRTPHV-UHFFFAOYSA-N
MW123.01 g/mol
LogP1.24
Rot. Bonds3

About CID 163832582

CID 163832582 (PubChem CID 163832582) has the molecular formula C7H14BN and a molecular weight of 123.01 g/mol.

Molecular Properties

Compound NameCID 163832582
PubChem CID163832582
Molecular FormulaC7H14BN
Molecular Weight123.01 g/mol
Exact Mass123.12
IUPAC Name—
SMILES[B]NC(C)CC1CCC1
InChIInChI=1S/C7H14BN/c1-6(9-8)5-7-3-2-4-7/h6-7,9H,2-5H2,1H3
InChIKeyUZNHPYFWKRTPHV-UHFFFAOYSA-N
XLogP1.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.01
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-N-(1-cyclopentylethyl)propan-2-amine
CID 115720167
N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine
CID 115896850
N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115705382
3-(1-cyclobutylpropan-2-ylamino)butan-1-ol
CID 115722186
N-(1-cyclobutylethyl)-1-cyclopropylpropan-2-amine
CID 115719713
2-(1-cyclobutylpropan-2-ylamino)-N,N-dimethylacetamide
CID 115927364
4-(1-cyclobutylpropan-2-ylamino)cyclohexan-1-ol
CID 103904559
2-cyclopropylpropylcyclobutane
CID 54087952
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
(2S)-1-cyclohexyl-N-methoxypropan-2-amine
CID 54506563
1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine
CID 103902079

Frequently Asked Questions

What is the IUPAC name of CID 163832582?
The IUPAC name of CID 163832582 (CID 163832582) is not available.
What is the SMILES notation for CID 163832582?
The canonical SMILES for CID 163832582 is [B]NC(C)CC1CCC1.
What is the InChIKey of CID 163832582?
The InChIKey is UZNHPYFWKRTPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BN/c1-6(9-8)5-7-3-2-4-7/h6-7,9H,2-5H2,1H3.
What are the key properties of CID 163832582?
CID 163832582 has a molecular weight of 123.01 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163832582 is sourced from PubChem (CID 163832582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).