CID 140732481

C7H14BN2O — CID 140732481

IUPAC—
SMILESNCC1CCCCN1[B]C=O
InChIInChI=1S/C7H14BN2O/c9-5-7-3-1-2-4-10(7)8-6-11/h6-7H,1-5,9H2
InChIKeyIQNATLRTPOIXSJ-UHFFFAOYSA-N
MW153.01 g/mol
LogP-0.39
Rot. Bonds3

About CID 140732481

CID 140732481 (PubChem CID 140732481) has the molecular formula C7H14BN2O and a molecular weight of 153.01 g/mol.

Molecular Properties

Compound NameCID 140732481
PubChem CID140732481
Molecular FormulaC7H14BN2O
Molecular Weight153.01 g/mol
Exact Mass153.12
IUPAC Name—
SMILESNCC1CCCCN1[B]C=O
InChIInChI=1S/C7H14BN2O/c9-5-7-3-1-2-4-10(7)8-6-11/h6-7H,1-5,9H2
InChIKeyIQNATLRTPOIXSJ-UHFFFAOYSA-N
XLogP-0.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.01
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
(1-cyclopropylpiperidin-2-yl)methanamine
CID 83694601
(1-cycloheptylazepan-2-yl)methanamine
CID 116640538
(1-tert-butylpiperidin-2-yl)methanamine
CID 67209205
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 96680756
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
(1-but-2-enylpiperidin-2-yl)methanamine
CID 76919198
[1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine
CID 76919196
[2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595775
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969168

Frequently Asked Questions

What is the IUPAC name of CID 140732481?
The IUPAC name of CID 140732481 (CID 140732481) is not available.
What is the SMILES notation for CID 140732481?
The canonical SMILES for CID 140732481 is NCC1CCCCN1[B]C=O.
What is the InChIKey of CID 140732481?
The InChIKey is IQNATLRTPOIXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BN2O/c9-5-7-3-1-2-4-10(7)8-6-11/h6-7H,1-5,9H2.
What are the key properties of CID 140732481?
CID 140732481 has a molecular weight of 153.01 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140732481 is sourced from PubChem (CID 140732481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).