N-[(1-aminocyclopentyl)methyl]adamantan-2-amine

C16H28N2 — CID 66593196

IUPACN-[(1-aminocyclopentyl)methyl]adamantan-2-amine
SMILESNC1(CNC2C3CC4CC(C3)CC2C4)CCCC1
InChIInChI=1S/C16H28N2/c17-16(3-1-2-4-16)10-18-15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15,18H,1-10,17H2
InChIKeyTYSLXLDVFFRCNC-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.67
Rot. Bonds3

About N-[(1-aminocyclopentyl)methyl]adamantan-2-amine

N-[(1-aminocyclopentyl)methyl]adamantan-2-amine (PubChem CID 66593196) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[(1-aminocyclopentyl)methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[(1-aminocyclopentyl)methyl]adamantan-2-amine
PubChem CID66593196
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[(1-aminocyclopentyl)methyl]adamantan-2-amine
SMILESNC1(CNC2C3CC4CC(C3)CC2C4)CCCC1
InChIInChI=1S/C16H28N2/c17-16(3-1-2-4-16)10-18-15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15,18H,1-10,17H2
InChIKeyTYSLXLDVFFRCNC-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopentyl)methyl]adamantan-2-amine?
The IUPAC name of N-[(1-aminocyclopentyl)methyl]adamantan-2-amine (CID 66593196) is N-[(1-aminocyclopentyl)methyl]adamantan-2-amine.
What is the SMILES notation for N-[(1-aminocyclopentyl)methyl]adamantan-2-amine?
The canonical SMILES for N-[(1-aminocyclopentyl)methyl]adamantan-2-amine is NC1(CNC2C3CC4CC(C3)CC2C4)CCCC1.
What is the InChIKey of N-[(1-aminocyclopentyl)methyl]adamantan-2-amine?
The InChIKey is TYSLXLDVFFRCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c17-16(3-1-2-4-16)10-18-15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15,18H,1-10,17H2.
What are the key properties of N-[(1-aminocyclopentyl)methyl]adamantan-2-amine?
N-[(1-aminocyclopentyl)methyl]adamantan-2-amine has a molecular weight of 248.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopentyl)methyl]adamantan-2-amine is sourced from PubChem (CID 66593196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).