(5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine

C18H33N — CID 71520468

IUPAC(5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine
SMILESCCCC1(CCC)C2C[C@@H]3C[C@H](C2)CC1(N(C)C)C3
InChIInChI=1S/C18H33N/c1-5-7-17(8-6-2)16-10-14-9-15(11-16)13-18(17,12-14)19(3)4/h14-16H,5-13H2,1-4H3/t14-,15+,16?,18?
InChIKeyCUBYAAOMDVYTFZ-SFYZZRBRSA-N
MW263.47 g/mol
LogP4.71
Rot. Bonds5

About (5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine

(5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine (PubChem CID 71520468) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine.

Molecular Properties

Compound Name(5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine
PubChem CID71520468
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine
SMILESCCCC1(CCC)C2C[C@@H]3C[C@H](C2)CC1(N(C)C)C3
InChIInChI=1S/C18H33N/c1-5-7-17(8-6-2)16-10-14-9-15(11-16)13-18(17,12-14)19(3)4/h14-16H,5-13H2,1-4H3/t14-,15+,16?,18?
InChIKeyCUBYAAOMDVYTFZ-SFYZZRBRSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine?
The IUPAC name of (5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine (CID 71520468) is (5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine.
What is the SMILES notation for (5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine?
The canonical SMILES for (5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine is CCCC1(CCC)C2C[C@@H]3C[C@H](C2)CC1(N(C)C)C3.
What is the InChIKey of (5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine?
The InChIKey is CUBYAAOMDVYTFZ-SFYZZRBRSA-N. The full InChI is InChI=1S/C18H33N/c1-5-7-17(8-6-2)16-10-14-9-15(11-16)13-18(17,12-14)19(3)4/h14-16H,5-13H2,1-4H3/t14-,15+,16?,18?.
What are the key properties of (5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine?
(5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine has a molecular weight of 263.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N,N-dimethyl-2,2-dipropyladamantan-1-amine is sourced from PubChem (CID 71520468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).