N-(2-adamantylmethyl)butan-2-amine

C15H27N — CID 81095609

IUPACN-(2-adamantylmethyl)butan-2-amine
SMILESCCC(C)NCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H27N/c1-3-10(2)16-9-15-13-5-11-4-12(7-13)8-14(15)6-11/h10-16H,3-9H2,1-2H3
InChIKeyMTIUHCKTNRWQRK-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.45
Rot. Bonds4

About N-(2-adamantylmethyl)butan-2-amine

N-(2-adamantylmethyl)butan-2-amine (PubChem CID 81095609) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-(2-adamantylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-adamantylmethyl)butan-2-amine
PubChem CID81095609
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-(2-adamantylmethyl)butan-2-amine
SMILESCCC(C)NCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H27N/c1-3-10(2)16-9-15-13-5-11-4-12(7-13)8-14(15)6-11/h10-16H,3-9H2,1-2H3
InChIKeyMTIUHCKTNRWQRK-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)butan-2-amine?
The IUPAC name of N-(2-adamantylmethyl)butan-2-amine (CID 81095609) is N-(2-adamantylmethyl)butan-2-amine.
What is the SMILES notation for N-(2-adamantylmethyl)butan-2-amine?
The canonical SMILES for N-(2-adamantylmethyl)butan-2-amine is CCC(C)NCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantylmethyl)butan-2-amine?
The InChIKey is MTIUHCKTNRWQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-10(2)16-9-15-13-5-11-4-12(7-13)8-14(15)6-11/h10-16H,3-9H2,1-2H3.
What are the key properties of N-(2-adamantylmethyl)butan-2-amine?
N-(2-adamantylmethyl)butan-2-amine has a molecular weight of 221.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)butan-2-amine is sourced from PubChem (CID 81095609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).