4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide

C16H30N2O — CID 106230575

IUPAC4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide
SMILESC#CC(CCC)NC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C16H30N2O/c1-6-8-14(7-2)18-15(19)10-9-13(11-12-17)16(3,4)5/h2,13-14H,6,8-12,17H2,1,3-5H3,(H,18,19)
InChIKeyVCRZOPXSHDYJCJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.70
Rot. Bonds8

About 4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide

4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide (PubChem CID 106230575) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide
PubChem CID106230575
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide
SMILESC#CC(CCC)NC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C16H30N2O/c1-6-8-14(7-2)18-15(19)10-9-13(11-12-17)16(3,4)5/h2,13-14H,6,8-12,17H2,1,3-5H3,(H,18,19)
InChIKeyVCRZOPXSHDYJCJ-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)-N-(4-hydroxybutan-2-yl)-5,5-dimethylhexanamide
CID 83177791
6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide
CID 106230416
(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
CID 106230696
N-hex-1-yn-3-yl-4-hydroxybutanamide
CID 106233004
5-chloro-N-hex-1-yn-3-ylpentanamide
CID 106227479
N-hex-1-yn-3-yl-4-(methylamino)butanamide
CID 106230477
N-hex-1-yn-3-ylhept-6-ynamide
CID 103528473
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 106282590
2-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]-3-methoxypropanoic acid
CID 81078363
4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide
CID 106188734
4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide
CID 82722451
N-hex-1-yn-3-yl-2-sulfanylpropanamide
CID 106229841

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide (CID 106230575) is 4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide is C#CC(CCC)NC(=O)CCC(CCN)C(C)(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide?
The InChIKey is VCRZOPXSHDYJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-8-14(7-2)18-15(19)10-9-13(11-12-17)16(3,4)5/h2,13-14H,6,8-12,17H2,1,3-5H3,(H,18,19).
What are the key properties of 4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide?
4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide has a molecular weight of 266.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide is sourced from PubChem (CID 106230575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).