N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine

C16H27N — CID 79998469

IUPACN-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCC1CC1)(C3)C2
InChIInChI=1S/C16H27N/c1-14-5-13-6-15(2,9-14)11-16(7-13,10-14)17-8-12-3-4-12/h12-13,17H,3-11H2,1-2H3
InChIKeyPYIAVJVCFUYTGK-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.73
Rot. Bonds3

About N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine

N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine (PubChem CID 79998469) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine
PubChem CID79998469
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCC1CC1)(C3)C2
InChIInChI=1S/C16H27N/c1-14-5-13-6-15(2,9-14)11-16(7-13,10-14)17-8-12-3-4-12/h12-13,17H,3-11H2,1-2H3
InChIKeyPYIAVJVCFUYTGK-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-N-prop-2-ynyladamantan-1-amine
CID 4724203
1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol
CID 79997666
3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine
CID 106452215
3,5-dimethyl-N-(2-methylbutyl)adamantan-1-amine
CID 79999123
N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine
CID 107445843
N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine
CID 79997830
N-tert-butyl-3,5-dimethyladamantan-1-amine
CID 59574547
N-benzyl-3,5-dimethyladamantan-1-amine
CID 4721832
3,5-dimethyl-N-pent-4-enyladamantan-1-amine
CID 79999138
2-[1-[[(3,5-dimethyl-1-adamantyl)amino]methyl]cyclopropyl]acetonitrile
CID 79998720
4-[(3,5-dimethyl-1-adamantyl)amino]butanoic acid
CID 79998249
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine (CID 79998469) is N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine is CC12CC3CC(C)(C1)CC(NCC1CC1)(C3)C2.
What is the InChIKey of N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine?
The InChIKey is PYIAVJVCFUYTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-14-5-13-6-15(2,9-14)11-16(7-13,10-14)17-8-12-3-4-12/h12-13,17H,3-11H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine?
N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine is sourced from PubChem (CID 79998469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).