N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

C16H27N — CID 114107677

IUPACN-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC1(C)CC1CNC1CC2CC1C1CCCC21
InChIInChI=1S/C16H27N/c1-16(2)8-11(16)9-17-15-7-10-6-14(15)13-5-3-4-12(10)13/h10-15,17H,3-9H2,1-2H3
InChIKeySBUWGNCNVZLRIT-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.45
Rot. Bonds3

About N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 114107677) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID114107677
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC1(C)CC1CNC1CC2CC1C1CCCC21
InChIInChI=1S/C16H27N/c1-16(2)8-11(16)9-17-15-7-10-6-14(15)13-5-3-4-12(10)13/h10-15,17H,3-9H2,1-2H3
InChIKeySBUWGNCNVZLRIT-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,6S,7S,8S)-N-(cyclopropylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 98119188
(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
CID 124708771
(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 124708804
(1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 99851077
N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115886378
2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile
CID 62648141
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 102673271
(1S,2R,6S,7R,8S)-N-[3-[(S)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568433
(1S,2R,6S,7R,8S)-N-[3-[(R)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568432
(1S,2R,6S,7R,8R)-N-[3-[(S)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568431
N-(3-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115886299
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43223185

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 114107677) is N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is CC1(C)CC1CNC1CC2CC1C1CCCC21.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is SBUWGNCNVZLRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-16(2)8-11(16)9-17-15-7-10-6-14(15)13-5-3-4-12(10)13/h10-15,17H,3-9H2,1-2H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 233.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 114107677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).