CID 174100136

C12H23BN2 — CID 174100136

IUPAC—
SMILES[B]N1CCC(CC2CCN(C)CC2)CC1
InChIInChI=1S/C12H23BN2/c1-14-6-2-11(3-7-14)10-12-4-8-15(13)9-5-12/h11-12H,2-10H2,1H3
InChIKeyMFOMYEZGOQJXQB-UHFFFAOYSA-N
MW206.14 g/mol
LogP1.51
Rot. Bonds2

About CID 174100136

CID 174100136 (PubChem CID 174100136) has the molecular formula C12H23BN2 and a molecular weight of 206.14 g/mol.

Molecular Properties

Compound NameCID 174100136
PubChem CID174100136
Molecular FormulaC12H23BN2
Molecular Weight206.14 g/mol
Exact Mass206.20
IUPAC Name—
SMILES[B]N1CCC(CC2CCN(C)CC2)CC1
InChIInChI=1S/C12H23BN2/c1-14-6-2-11(3-7-14)10-12-4-8-15(13)9-5-12/h11-12H,2-10H2,1H3
InChIKeyMFOMYEZGOQJXQB-UHFFFAOYSA-N
XLogP1.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine
CID 160991288
4-[(1-tert-butylpyrrolidin-3-yl)methyl]-1-methylpiperidine
CID 159520791
1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine
CID 177247678
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 90084967
2-(1-methylpiperidin-4-yl)ethylphosphonous acid
CID 143159252
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
4-(2-chloroethyl)-1-methylpiperidine
CID 22568277

Frequently Asked Questions

What is the IUPAC name of CID 174100136?
The IUPAC name of CID 174100136 (CID 174100136) is not available.
What is the SMILES notation for CID 174100136?
The canonical SMILES for CID 174100136 is [B]N1CCC(CC2CCN(C)CC2)CC1.
What is the InChIKey of CID 174100136?
The InChIKey is MFOMYEZGOQJXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BN2/c1-14-6-2-11(3-7-14)10-12-4-8-15(13)9-5-12/h11-12H,2-10H2,1H3.
What are the key properties of CID 174100136?
CID 174100136 has a molecular weight of 206.14 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174100136 is sourced from PubChem (CID 174100136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).