CID 176925739

C25H44N3 — CID 176925739

IUPAC—
SMILESCCCN(C[C@@H](C1=C[CH]1)C(C)C)C1CC2(CCN(CC3CCNCC3)CC2)C1
InChIInChI=1S/C25H44N3/c1-4-13-28(19-24(20(2)3)22-5-6-22)23-16-25(17-23)9-14-27(15-10-25)18-21-7-11-26-12-8-21/h5-6,20-21,23-24,26H,4,7-19H2,1-3H3/t24-/m1/s1
InChIKeyFGUJUPJAAFWIIH-XMMPIXPASA-N
MW386.65 g/mol
LogP4.36
Rot. Bonds9

About CID 176925739

CID 176925739 (PubChem CID 176925739) has the molecular formula C25H44N3 and a molecular weight of 386.65 g/mol.

Molecular Properties

Compound NameCID 176925739
PubChem CID176925739
Molecular FormulaC25H44N3
Molecular Weight386.65 g/mol
Exact Mass386.35
IUPAC Name—
SMILESCCCN(C[C@@H](C1=C[CH]1)C(C)C)C1CC2(CCN(CC3CCNCC3)CC2)C1
InChIInChI=1S/C25H44N3/c1-4-13-28(19-24(20(2)3)22-5-6-22)23-16-25(17-23)9-14-27(15-10-25)18-21-7-11-26-12-8-21/h5-6,20-21,23-24,26H,4,7-19H2,1-3H3/t24-/m1/s1
InChIKeyFGUJUPJAAFWIIH-XMMPIXPASA-N
XLogP4.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-ethylpiperidin-4-amine
CID 69738965
1-[1-[(6,6-Dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]ethanamine
CID 69738970
methane;3-[(5E,7Z)-2,4,4,5-tetramethyldeca-5,7,9-trien-2-yl]-3,9-diazaspiro[5.5]undecane
CID 144047473
2-[Cyclohepta-1,3,6-trien-1-yl-(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]-2,9-diazaspiro[5.5]undecane;ethane
CID 145044383
1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-methylpiperidin-4-amine
CID 153728643
N-[(3-tert-butyl-1-methylcyclobutyl)methyl]-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-amine;ethane;bis(prop-1-ene)
CID 156749867
2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazin-1-yl]-7-azaspiro[3.5]nonane
CID 169691052
2-(Piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane
CID 170953280
CID 176925737
CID 176925737
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 11859889
[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 11904812
5-Tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine
CID 64946001

Frequently Asked Questions

What is the IUPAC name of CID 176925739?
The IUPAC name of CID 176925739 (CID 176925739) is not available.
What is the SMILES notation for CID 176925739?
The canonical SMILES for CID 176925739 is CCCN(C[C@@H](C1=C[CH]1)C(C)C)C1CC2(CCN(CC3CCNCC3)CC2)C1.
What is the InChIKey of CID 176925739?
The InChIKey is FGUJUPJAAFWIIH-XMMPIXPASA-N. The full InChI is InChI=1S/C25H44N3/c1-4-13-28(19-24(20(2)3)22-5-6-22)23-16-25(17-23)9-14-27(15-10-25)18-21-7-11-26-12-8-21/h5-6,20-21,23-24,26H,4,7-19H2,1-3H3/t24-/m1/s1.
What are the key properties of CID 176925739?
CID 176925739 has a molecular weight of 386.65 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176925739 is sourced from PubChem (CID 176925739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).