3-butyl-5-methyladamantan-1-amine

C15H27N — CID 10013787

IUPAC3-butyl-5-methyladamantan-1-amine
SMILESCCCCC12CC3CC(C)(CC(N)(C3)C1)C2
InChIInChI=1S/C15H27N/c1-3-4-5-14-7-12-6-13(2,9-14)10-15(16,8-12)11-14/h12H,3-11,16H2,1-2H3
InChIKeyTXZQKDJQUVYBAV-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.86
Rot. Bonds3

About 3-butyl-5-methyladamantan-1-amine

3-butyl-5-methyladamantan-1-amine (PubChem CID 10013787) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 3-butyl-5-methyladamantan-1-amine.

Molecular Properties

Compound Name3-butyl-5-methyladamantan-1-amine
PubChem CID10013787
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name3-butyl-5-methyladamantan-1-amine
SMILESCCCCC12CC3CC(C)(CC(N)(C3)C1)C2
InChIInChI=1S/C15H27N/c1-3-4-5-14-7-12-6-13(2,9-14)10-15(16,8-12)11-14/h12H,3-11,16H2,1-2H3
InChIKeyTXZQKDJQUVYBAV-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Memantine
CID 4054
Rimantadine
CID 5071
Amantadine
CID 2130
Amantadine Hydrochloride
CID 64150
Memantine Hydrochloride
CID 181458
Rimantadine Hydrochloride
CID 15165
(3R,5S)-3,5-dimethyl-1-adamantanamine
CID 1263681
(1R)-1-(adamantan-1-yl)ethan-1-amine
CID 7048786
Somantadine
CID 50234
(alphaS)-alpha-Methyltricyclo[3.3.1.13,7]decane-1-methanamine
CID 7048784
(1r,3R,5S,7r)-3,5-dimethyladamantan-1-amine hydrochloride
CID 11229655
Adamantane-1,3-diamine
CID 213512

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methyladamantan-1-amine?
The IUPAC name of 3-butyl-5-methyladamantan-1-amine (CID 10013787) is 3-butyl-5-methyladamantan-1-amine.
What is the SMILES notation for 3-butyl-5-methyladamantan-1-amine?
The canonical SMILES for 3-butyl-5-methyladamantan-1-amine is CCCCC12CC3CC(C)(CC(N)(C3)C1)C2.
What is the InChIKey of 3-butyl-5-methyladamantan-1-amine?
The InChIKey is TXZQKDJQUVYBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-4-5-14-7-12-6-13(2,9-14)10-15(16,8-12)11-14/h12H,3-11,16H2,1-2H3.
What are the key properties of 3-butyl-5-methyladamantan-1-amine?
3-butyl-5-methyladamantan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methyladamantan-1-amine is sourced from PubChem (CID 10013787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).