2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine

C17H28N2 — CID 106227916

IUPAC2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine
SMILESC#CC(CCC)NC1(CN)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2/c1-3-5-16(4-2)19-17(11-18)14-7-12-6-13(9-14)10-15(17)8-12/h2,12-16,19H,3,5-11,18H2,1H3
InChIKeyWAOGQRCYKLTLAM-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.53
Rot. Bonds5

About 2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine

2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine (PubChem CID 106227916) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine
PubChem CID106227916
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine
SMILESC#CC(CCC)NC1(CN)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2/c1-3-5-16(4-2)19-17(11-18)14-7-12-6-13(9-14)10-15(17)8-12/h2,12-16,19H,3,5-11,18H2,1H3
InChIKeyWAOGQRCYKLTLAM-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine?
The IUPAC name of 2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine (CID 106227916) is 2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine is C#CC(CCC)NC1(CN)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine?
The InChIKey is WAOGQRCYKLTLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-5-16(4-2)19-17(11-18)14-7-12-6-13(9-14)10-15(17)8-12/h2,12-16,19H,3,5-11,18H2,1H3.
What are the key properties of 2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine?
2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine has a molecular weight of 260.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-hex-1-yn-3-yladamantan-2-amine is sourced from PubChem (CID 106227916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).