CID 176776118

C15H25N — CID 176776118

IUPAC—
SMILES[2H]C1([2H])N2CCC3(CC3)[C@@]2(C([2H])([2H])C(C)C)CC12CC2
InChIInChI=1S/C15H25N/c1-12(2)9-15-10-13(3-4-13)11-16(15)8-7-14(15)5-6-14/h12H,3-11H2,1-2H3/t15-/m1/s1/i9D2,11D2
InChIKeyIOCDWRCUNFICGT-INJXSFOCSA-N
MW223.40 g/mol
LogP3.44
Rot. Bonds2

About CID 176776118

CID 176776118 (PubChem CID 176776118) has the molecular formula C15H25N and a molecular weight of 223.40 g/mol.

Molecular Properties

Compound NameCID 176776118
PubChem CID176776118
Molecular FormulaC15H25N
Molecular Weight223.40 g/mol
Exact Mass223.22
IUPAC Name—
SMILES[2H]C1([2H])N2CCC3(CC3)[C@@]2(C([2H])([2H])C(C)C)CC12CC2
InChIInChI=1S/C15H25N/c1-12(2)9-15-10-13(3-4-13)11-16(15)8-7-14(15)5-6-14/h12H,3-11H2,1-2H3/t15-/m1/s1/i9D2,11D2
InChIKeyIOCDWRCUNFICGT-INJXSFOCSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 176776135
CID 176776135
CID 176776495
CID 176776495
CID 176776097
CID 176776097
(6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-1',1'-difluorospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]
CID 176776468
(6E,8R)-8-(1,1-dideuterio-2-methylpropyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776729
(8S)-8-(1,1-dideuterio-2-methylpropyl)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776385
(2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]
CID 176776511
(8R)-8-(1,1-dideuterio-2-methylpropyl)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776323
(2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine
CID 176776126
(5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane]
CID 177126242
ethane;8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 159738289
4-(2-methylpropyl)-4-azaspiro[2.4]heptane
CID 177032629

Frequently Asked Questions

What is the IUPAC name of CID 176776118?
The IUPAC name of CID 176776118 (CID 176776118) is not available.
What is the SMILES notation for CID 176776118?
The canonical SMILES for CID 176776118 is [2H]C1([2H])N2CCC3(CC3)[C@@]2(C([2H])([2H])C(C)C)CC12CC2.
What is the InChIKey of CID 176776118?
The InChIKey is IOCDWRCUNFICGT-INJXSFOCSA-N. The full InChI is InChI=1S/C15H25N/c1-12(2)9-15-10-13(3-4-13)11-16(15)8-7-14(15)5-6-14/h12H,3-11H2,1-2H3/t15-/m1/s1/i9D2,11D2.
What are the key properties of CID 176776118?
CID 176776118 has a molecular weight of 223.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176776118 is sourced from PubChem (CID 176776118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).