CID 10991573

C16H18N — CID 10991573

IUPAC—
SMILESC=C[C@H](Cc1ccccc1)NC[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C16H18N/c1-2-16(12-14-8-4-3-5-9-14)17-13-15-10-6-7-11-15/h2-11,16-17H,1,12-13H2/t16-/m1/s1
InChIKeyWZKVQMZFIHDKPY-MRXNPFEDSA-N
MW224.33 g/mol
LogP2.78
Rot. Bonds6

About CID 10991573

CID 10991573 (PubChem CID 10991573) has the molecular formula C16H18N and a molecular weight of 224.33 g/mol.

Molecular Properties

Compound NameCID 10991573
PubChem CID10991573
Molecular FormulaC16H18N
Molecular Weight224.33 g/mol
Exact Mass224.14
IUPAC Name—
SMILESC=C[C@H](Cc1ccccc1)NC[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C16H18N/c1-2-16(12-14-8-4-3-5-9-14)17-13-15-10-6-7-11-15/h2-11,16-17H,1,12-13H2/t16-/m1/s1
InChIKeyWZKVQMZFIHDKPY-MRXNPFEDSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-benzyl-5-phenylpent-1-en-3-amine
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1-N'-benzylprop-2-ene-1,1-diamine
CID 67413433
(2S)-N-benzyl-1-phenylmethoxybut-3-en-2-amine
CID 23583582
(2S,3Z,5E)-N-benzyl-1-phenylhepta-3,5-dien-2-amine
CID 10707695
trichloro(1-phenylbut-3-en-2-yl)silane
CID 21185625
(4E)-N-benzylhexa-1,4-dien-3-amine
CID 11513891
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
2-(ethylamino)-3-phenylpropanal
CID 3325220
4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide
CID 19365215
methyl 9-(benzylamino)undec-10-enoate
CID 134838950
methane;methanol;2-(1-phenylbut-3-en-2-ylamino)pentanal
CID 142163742

Frequently Asked Questions

What is the IUPAC name of CID 10991573?
The IUPAC name of CID 10991573 (CID 10991573) is not available.
What is the SMILES notation for CID 10991573?
The canonical SMILES for CID 10991573 is C=C[C@H](Cc1ccccc1)NC[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 10991573?
The InChIKey is WZKVQMZFIHDKPY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N/c1-2-16(12-14-8-4-3-5-9-14)17-13-15-10-6-7-11-15/h2-11,16-17H,1,12-13H2/t16-/m1/s1.
What are the key properties of CID 10991573?
CID 10991573 has a molecular weight of 224.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10991573 is sourced from PubChem (CID 10991573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).