N,N-dipropyladamantan-1-amine

C16H29N — CID 3010120

IUPACN,N-dipropyladamantan-1-amine
SMILESCCCN(CCC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H29N/c1-3-5-17(6-4-2)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,3-12H2,1-2H3
InChIKeyUCJLRGFERKFOFG-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.08
Rot. Bonds5

About N,N-dipropyladamantan-1-amine

N,N-dipropyladamantan-1-amine (PubChem CID 3010120) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N,N-dipropyladamantan-1-amine.

Molecular Properties

Compound NameN,N-dipropyladamantan-1-amine
PubChem CID3010120
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN,N-dipropyladamantan-1-amine
SMILESCCCN(CCC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H29N/c1-3-5-17(6-4-2)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,3-12H2,1-2H3
InChIKeyUCJLRGFERKFOFG-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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,N-dipropyladamantan-1-amine?
The IUPAC name of N,N-dipropyladamantan-1-amine (CID 3010120) is N,N-dipropyladamantan-1-amine.
What is the SMILES notation for N,N-dipropyladamantan-1-amine?
The canonical SMILES for N,N-dipropyladamantan-1-amine is CCCN(CCC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N,N-dipropyladamantan-1-amine?
The InChIKey is UCJLRGFERKFOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-3-5-17(6-4-2)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,3-12H2,1-2H3.
What are the key properties of N,N-dipropyladamantan-1-amine?
N,N-dipropyladamantan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyladamantan-1-amine is sourced from PubChem (CID 3010120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).