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

C15H27N — CID 71520469

IUPAC(5S,7R)-N,N-dimethyl-2-propan-2-yladamantan-1-amine
SMILESCC(C)C1C2C[C@@H]3C[C@H](C2)CC1(N(C)C)C3
InChIInChI=1S/C15H27N/c1-10(2)14-13-6-11-5-12(7-13)9-15(14,8-11)16(3)4/h10-14H,5-9H2,1-4H3/t11-,12+,13?,14?,15?
InChIKeyXTXGMPJBMMXLQQ-HONBEQNRSA-N
MW221.39 g/mol
LogP3.40
Rot. Bonds2

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

(5S,7R)-N,N-dimethyl-2-propan-2-yladamantan-1-amine (PubChem CID 71520469) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (5S,7R)-N,N-dimethyl-2-propan-2-yladamantan-1-amine.

Molecular Properties

Compound Name(5S,7R)-N,N-dimethyl-2-propan-2-yladamantan-1-amine
PubChem CID71520469
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(5S,7R)-N,N-dimethyl-2-propan-2-yladamantan-1-amine
SMILESCC(C)C1C2C[C@@H]3C[C@H](C2)CC1(N(C)C)C3
InChIInChI=1S/C15H27N/c1-10(2)14-13-6-11-5-12(7-13)9-15(14,8-11)16(3)4/h10-14H,5-9H2,1-4H3/t11-,12+,13?,14?,15?
InChIKeyXTXGMPJBMMXLQQ-HONBEQNRSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.40
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-propan-2-yladamantan-1-amine?
The IUPAC name of (5S,7R)-N,N-dimethyl-2-propan-2-yladamantan-1-amine (CID 71520469) is (5S,7R)-N,N-dimethyl-2-propan-2-yladamantan-1-amine.
What is the SMILES notation for (5S,7R)-N,N-dimethyl-2-propan-2-yladamantan-1-amine?
The canonical SMILES for (5S,7R)-N,N-dimethyl-2-propan-2-yladamantan-1-amine is CC(C)C1C2C[C@@H]3C[C@H](C2)CC1(N(C)C)C3.
What is the InChIKey of (5S,7R)-N,N-dimethyl-2-propan-2-yladamantan-1-amine?
The InChIKey is XTXGMPJBMMXLQQ-HONBEQNRSA-N. The full InChI is InChI=1S/C15H27N/c1-10(2)14-13-6-11-5-12(7-13)9-15(14,8-11)16(3)4/h10-14H,5-9H2,1-4H3/t11-,12+,13?,14?,15?.
What are the key properties of (5S,7R)-N,N-dimethyl-2-propan-2-yladamantan-1-amine?
(5S,7R)-N,N-dimethyl-2-propan-2-yladamantan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.40, 2 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-propan-2-yladamantan-1-amine is sourced from PubChem (CID 71520469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).