N-(3-methoxy-3-methylbutyl)adamantan-2-amine

C16H29NO — CID 106675234

IUPACN-(3-methoxy-3-methylbutyl)adamantan-2-amine
SMILESCOC(C)(C)CCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H29NO/c1-16(2,18-3)4-5-17-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15,17H,4-10H2,1-3H3
InChIKeySBZYYTNBOAITGZ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.22
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)adamantan-2-amine

N-(3-methoxy-3-methylbutyl)adamantan-2-amine (PubChem CID 106675234) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)adamantan-2-amine
PubChem CID106675234
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(3-methoxy-3-methylbutyl)adamantan-2-amine
SMILESCOC(C)(C)CCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H29NO/c1-16(2,18-3)4-5-17-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15,17H,4-10H2,1-3H3
InChIKeySBZYYTNBOAITGZ-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Adamantyl(3-methoxypropyl)amine
CID 2245069
2-Adamantyl(2-methoxy-1-methylethyl)amine
CID 3715788
N-heptyladamantan-2-amine
CID 43223214
N-octyladamantan-2-amine
CID 43223221
N-hexyladamantan-2-amine
CID 43406596
N-decyladamantan-2-amine
CID 78912562
(1R,3S)-5-methoxy-N-propan-2-yladamantan-2-amine
CID 130334648
5-methoxy-N-propan-2-yladamantan-2-amine
CID 135290917
N-(ethoxymethyl)adamantan-2-amine
CID 153855492
3-(2-Adamantylamino)propyl sulfite
CID 174785134
N-[(2R)-1-methoxypropan-2-yl]adamantan-2-amine
CID 784151
N-[(2S)-1-methoxypropan-2-yl]adamantan-2-amine
CID 784152

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)adamantan-2-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)adamantan-2-amine (CID 106675234) is N-(3-methoxy-3-methylbutyl)adamantan-2-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)adamantan-2-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)adamantan-2-amine is COC(C)(C)CCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)adamantan-2-amine?
The InChIKey is SBZYYTNBOAITGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-16(2,18-3)4-5-17-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15,17H,4-10H2,1-3H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)adamantan-2-amine?
N-(3-methoxy-3-methylbutyl)adamantan-2-amine has a molecular weight of 251.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)adamantan-2-amine is sourced from PubChem (CID 106675234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).