N-(1-adamantyl)propan-1-imine

C13H21N — CID 5136240

IUPACN-(1-adamantyl)propan-1-imine
SMILESCC/C=N/C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21N/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h3,10-12H,2,4-9H2,1H3/b14-3+
InChIKeyHKENMYWYWDFBTF-LZWSPWQCSA-N
MW191.32 g/mol
LogP3.44
Rot. Bonds2

About N-(1-adamantyl)propan-1-imine

N-(1-adamantyl)propan-1-imine (PubChem CID 5136240) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-(1-adamantyl)propan-1-imine.

Molecular Properties

Compound NameN-(1-adamantyl)propan-1-imine
PubChem CID5136240
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-(1-adamantyl)propan-1-imine
SMILESCC/C=N/C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21N/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h3,10-12H,2,4-9H2,1H3/b14-3+
InChIKeyHKENMYWYWDFBTF-LZWSPWQCSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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1-(18O)nitrosoadamantane
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2-(1-adamantyl)butan-2-ylphosphane
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(5S,7R)-2,2-diethyl-N,N-dimethyladamantan-1-amine
CID 71506067
2-[5-[4-[5-(1-adamantylimino)pentylideneamino]phenyl]iminopentylideneamino]ethanethiol
CID 101368707
CID 89119542
CID 89119542
CID 102260909
CID 102260909
1-N',4-N'-bis(1-adamantyl)cyclohexane-1,4-dicarboximidamide
CID 171722216
N-(1-adamantylmethyl)-N-methylethanamine;hydrochloride
CID 2834337
2,2-diethyladamantan-1-ol
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CID 87620474

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)propan-1-imine?
The IUPAC name of N-(1-adamantyl)propan-1-imine (CID 5136240) is N-(1-adamantyl)propan-1-imine.
What is the SMILES notation for N-(1-adamantyl)propan-1-imine?
The canonical SMILES for N-(1-adamantyl)propan-1-imine is CC/C=N/C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)propan-1-imine?
The InChIKey is HKENMYWYWDFBTF-LZWSPWQCSA-N. The full InChI is InChI=1S/C13H21N/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h3,10-12H,2,4-9H2,1H3/b14-3+.
What are the key properties of N-(1-adamantyl)propan-1-imine?
N-(1-adamantyl)propan-1-imine has a molecular weight of 191.32 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 N-(1-adamantyl)propan-1-imine is sourced from PubChem (CID 5136240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).