3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine

C16H27N — CID 81415889

IUPAC3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N/c1-15(2)13(6-14(15)17)16-7-10-3-11(8-16)5-12(4-10)9-16/h10-14H,3-9,17H2,1-2H3
InChIKeyAWFJKCQRGJUWHQ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.58
Rot. Bonds1

About 3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine

3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine (PubChem CID 81415889) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine
PubChem CID81415889
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N/c1-15(2)13(6-14(15)17)16-7-10-3-11(8-16)5-12(4-10)9-16/h10-14H,3-9,17H2,1-2H3
InChIKeyAWFJKCQRGJUWHQ-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

adamantane;1-methyladamantane
CID 53425859
cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol
CID 97300410
1-methylcyclopropane-1,2-diamine
CID 15182447
2,2,6,6-tetramethylbicyclo[3.1.0]hexan-3-amine
CID 59730599
cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 95970229
1-(1-adamantyl)-2-methylcyclopropan-1-amine
CID 79332665
3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 164660233
(5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine
CID 25099044
trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine
CID 99867045
(1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 126970080
(1R,2R,3S,5R)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 10986679
2-(1-adamantyl)-5,5-dimethylcyclohexane-1,3-dione
CID 12021695

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine (CID 81415889) is 3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine is CC1(C)C(N)CC1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is AWFJKCQRGJUWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-15(2)13(6-14(15)17)16-7-10-3-11(8-16)5-12(4-10)9-16/h10-14H,3-9,17H2,1-2H3.
What are the key properties of 3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine?
3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81415889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).