N,3,5-trimethyl-N-propan-2-yladamantan-1-amine

C16H29N — CID 22763951

IUPACN,3,5-trimethyl-N-propan-2-yladamantan-1-amine
SMILESCC(C)N(C)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H29N/c1-12(2)17(5)16-8-13-6-14(3,10-16)9-15(4,7-13)11-16/h12-13H,6-11H2,1-5H3
InChIKeyUAMZVRCVELQOLM-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.08
Rot. Bonds2

About N,3,5-trimethyl-N-propan-2-yladamantan-1-amine

N,3,5-trimethyl-N-propan-2-yladamantan-1-amine (PubChem CID 22763951) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N,3,5-trimethyl-N-propan-2-yladamantan-1-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-N-propan-2-yladamantan-1-amine
PubChem CID22763951
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN,3,5-trimethyl-N-propan-2-yladamantan-1-amine
SMILESCC(C)N(C)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H29N/c1-12(2)17(5)16-8-13-6-14(3,10-16)9-15(4,7-13)11-16/h12-13H,6-11H2,1-5H3
InChIKeyUAMZVRCVELQOLM-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-propan-2-yladamantan-1-amine?
The IUPAC name of N,3,5-trimethyl-N-propan-2-yladamantan-1-amine (CID 22763951) is N,3,5-trimethyl-N-propan-2-yladamantan-1-amine.
What is the SMILES notation for N,3,5-trimethyl-N-propan-2-yladamantan-1-amine?
The canonical SMILES for N,3,5-trimethyl-N-propan-2-yladamantan-1-amine is CC(C)N(C)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N,3,5-trimethyl-N-propan-2-yladamantan-1-amine?
The InChIKey is UAMZVRCVELQOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12(2)17(5)16-8-13-6-14(3,10-16)9-15(4,7-13)11-16/h12-13H,6-11H2,1-5H3.
What are the key properties of N,3,5-trimethyl-N-propan-2-yladamantan-1-amine?
N,3,5-trimethyl-N-propan-2-yladamantan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-propan-2-yladamantan-1-amine is sourced from PubChem (CID 22763951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).