4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine

C13H24N2O — CID 116641218

IUPAC4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine
SMILESC#CCCNC1(CN)CCOC(CCC)C1
InChIInChI=1S/C13H24N2O/c1-3-5-8-15-13(11-14)7-9-16-12(10-13)6-4-2/h1,12,15H,4-11,14H2,2H3
InChIKeyNRRAEMGBRFXLBT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.28
Rot. Bonds6

About 4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine

4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine (PubChem CID 116641218) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine
PubChem CID116641218
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine
SMILESC#CCCNC1(CN)CCOC(CCC)C1
InChIInChI=1S/C13H24N2O/c1-3-5-8-15-13(11-14)7-9-16-12(10-13)6-4-2/h1,12,15H,4-11,14H2,2H3
InChIKeyNRRAEMGBRFXLBT-UHFFFAOYSA-N
XLogP1.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine
CID 115406424
4-(aminomethyl)-2-propyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378217
N-[4-(aminomethyl)-2-propyloxan-4-yl]piperidin-1-amine
CID 83010684
3-(aminomethyl)-N-but-3-ynyloxolan-3-amine
CID 116641093
1-(aminomethyl)-N-but-3-ynyl-3-methylcyclohexan-1-amine
CID 116641321
4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine
CID 65376917
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine
CID 107573280
4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine
CID 114616093
2-[4-(methylamino)-2-propyloxan-4-yl]acetamide
CID 65236924
1-(aminomethyl)-N-but-3-ynyl-4-ethylcycloheptan-1-amine
CID 116641005
3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol
CID 65378451
4-(aminomethyl)-N-but-3-ynyl-1-methylazepan-4-amine
CID 116641261

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine (CID 116641218) is 4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine is C#CCCNC1(CN)CCOC(CCC)C1.
What is the InChIKey of 4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine?
The InChIKey is NRRAEMGBRFXLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-8-15-13(11-14)7-9-16-12(10-13)6-4-2/h1,12,15H,4-11,14H2,2H3.
What are the key properties of 4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine?
4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine has a molecular weight of 224.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine is sourced from PubChem (CID 116641218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).