CID 174036317

C7H15BN2 — CID 174036317

IUPAC—
SMILES[B]NC/C(=C(/C)N)C(C)C
InChIInChI=1S/C7H15BN2/c1-5(2)7(4-10-8)6(3)9/h5,10H,4,9H2,1-3H3/b7-6+
InChIKeySDGHPDCHNLBTOX-VOTSOKGWSA-N
MW138.02 g/mol
LogP0.55
Rot. Bonds3

About CID 174036317

CID 174036317 (PubChem CID 174036317) has the molecular formula C7H15BN2 and a molecular weight of 138.02 g/mol.

Molecular Properties

Compound NameCID 174036317
PubChem CID174036317
Molecular FormulaC7H15BN2
Molecular Weight138.02 g/mol
Exact Mass138.13
IUPAC Name—
SMILES[B]NC/C(=C(/C)N)C(C)C
InChIInChI=1S/C7H15BN2/c1-5(2)7(4-10-8)6(3)9/h5,10H,4,9H2,1-3H3/b7-6+
InChIKeySDGHPDCHNLBTOX-VOTSOKGWSA-N
XLogP0.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.02
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 178036338
CID 178036338
2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide
CID 77032312
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
2-(hydroxyamino)propanamide
CID 12611671
acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
CID 88648065
(E)-3-ethanimidoyl-4-methylpent-2-en-2-amine
CID 146526722
2-(tert-butylamino)-N'-hydroxyethanimidamide
CID 60718842
2-methylpropanamide;bis(propan-2-one)
CID 174404145
ethane;propan-2-amine;prop-1-en-2-amine
CID 162282667

Frequently Asked Questions

What is the IUPAC name of CID 174036317?
The IUPAC name of CID 174036317 (CID 174036317) is not available.
What is the SMILES notation for CID 174036317?
The canonical SMILES for CID 174036317 is [B]NC/C(=C(/C)N)C(C)C.
What is the InChIKey of CID 174036317?
The InChIKey is SDGHPDCHNLBTOX-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H15BN2/c1-5(2)7(4-10-8)6(3)9/h5,10H,4,9H2,1-3H3/b7-6+.
What are the key properties of CID 174036317?
CID 174036317 has a molecular weight of 138.02 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174036317 is sourced from PubChem (CID 174036317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).