(5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine

C13H21N — CID 25099044

IUPAC(5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine
SMILESNC1CCC23C[C@@H]4CC(C[C@@H](C4)C2)[C@H]13
InChIInChI=1S/C13H21N/c14-11-1-2-13-6-8-3-9(7-13)5-10(4-8)12(11)13/h8-12H,1-7,14H2/t8-,9+,10?,11?,12-,13?/m1/s1
InChIKeyBCRNJHBCMLTUMK-ZOIYWTSBSA-N
MW191.32 g/mol
LogP2.55
Rot. Bonds

About (5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine

(5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine (PubChem CID 25099044) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine.

Molecular Properties

Compound Name(5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine
PubChem CID25099044
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine
SMILESNC1CCC23C[C@@H]4CC(C[C@@H](C4)C2)[C@H]13
InChIInChI=1S/C13H21N/c14-11-1-2-13-6-8-3-9(7-13)5-10(4-8)12(11)13/h8-12H,1-7,14H2/t8-,9+,10?,11?,12-,13?/m1/s1
InChIKeyBCRNJHBCMLTUMK-ZOIYWTSBSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane
CID 90765182
1-aminoadamantan-2-ol
CID 12563267
2-(1-methylcyclopropyl)adamantane
CID 134889071
(2S)-bicyclo[3.1.1]heptan-2-amine
CID 148819936
(1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine
CID 71472119
3-(1-adamantyl)-2,2-dimethylcyclobutan-1-amine
CID 81415889
2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine
CID 175762891
bicyclo[2.2.1]heptane-1,2-diamine;platinum
CID 88686681
1-(1-adamantyl)-2-methylcyclopropan-1-amine
CID 79332665
(8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine
CID 73347790
2-cyclohexyl-8-propan-2-yladamantan-1-amine
CID 67219123
(1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride
CID 71472116

Frequently Asked Questions

What is the IUPAC name of (5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine?
The IUPAC name of (5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine (CID 25099044) is (5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine.
What is the SMILES notation for (5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine?
The canonical SMILES for (5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine is NC1CCC23C[C@@H]4CC(C[C@@H](C4)C2)[C@H]13.
What is the InChIKey of (5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine?
The InChIKey is BCRNJHBCMLTUMK-ZOIYWTSBSA-N. The full InChI is InChI=1S/C13H21N/c14-11-1-2-13-6-8-3-9(7-13)5-10(4-8)12(11)13/h8-12H,1-7,14H2/t8-,9+,10?,11?,12-,13?/m1/s1.
What are the key properties of (5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine?
(5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine has a molecular weight of 191.32 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R,10S)-tetracyclo[6.3.1.16,10.01,5]tridecan-4-amine is sourced from PubChem (CID 25099044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).