3-(aminomethyl)-N-pent-3-ynyloxan-3-amine

C11H20N2O — CID 116643547

IUPAC3-(aminomethyl)-N-pent-3-ynyloxan-3-amine
SMILESCC#CCCNC1(CN)CCCOC1
InChIInChI=1S/C11H20N2O/c1-2-3-4-7-13-11(9-12)6-5-8-14-10-11/h13H,4-10,12H2,1H3
InChIKeyMXMOBQCRHAOTFB-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.50
Rot. Bonds4

About 3-(aminomethyl)-N-pent-3-ynyloxan-3-amine

3-(aminomethyl)-N-pent-3-ynyloxan-3-amine (PubChem CID 116643547) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-pent-3-ynyloxan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-pent-3-ynyloxan-3-amine
PubChem CID116643547
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(aminomethyl)-N-pent-3-ynyloxan-3-amine
SMILESCC#CCCNC1(CN)CCCOC1
InChIInChI=1S/C11H20N2O/c1-2-3-4-7-13-11(9-12)6-5-8-14-10-11/h13H,4-10,12H2,1H3
InChIKeyMXMOBQCRHAOTFB-UHFFFAOYSA-N
XLogP0.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.50
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

3-(aminomethyl)-N-but-3-ynyloxolan-3-amine
CID 116641093
2-[[3-(aminomethyl)oxolan-3-yl]amino]ethanol;ethane
CID 144870956
1-(aminomethyl)-N-pent-3-ynyl-4-phenylcyclohexan-1-amine
CID 116643370
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine
CID 106173343
4-(aminomethyl)-N-pent-3-ynyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105365301
1-(aminomethyl)-N-but-3-ynyl-4,4-dimethylcycloheptan-1-amine
CID 116641100
1-(aminomethyl)-N-but-3-ynyl-3-methylcyclohexan-1-amine
CID 116641321
N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine
CID 104807224
(1-pent-3-ynylcyclopentyl)methanamine
CID 126977362
3-(aminomethyl)-N-hex-1-yn-3-yloxolan-3-amine
CID 106228501
4-(aminomethyl)-N-but-3-ynyl-1-methylazepan-4-amine
CID 116641261
4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine
CID 62539718

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-pent-3-ynyloxan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-pent-3-ynyloxan-3-amine (CID 116643547) is 3-(aminomethyl)-N-pent-3-ynyloxan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-pent-3-ynyloxan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-pent-3-ynyloxan-3-amine is CC#CCCNC1(CN)CCCOC1.
What is the InChIKey of 3-(aminomethyl)-N-pent-3-ynyloxan-3-amine?
The InChIKey is MXMOBQCRHAOTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-4-7-13-11(9-12)6-5-8-14-10-11/h13H,4-10,12H2,1H3.
What are the key properties of 3-(aminomethyl)-N-pent-3-ynyloxan-3-amine?
3-(aminomethyl)-N-pent-3-ynyloxan-3-amine has a molecular weight of 196.29 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-pent-3-ynyloxan-3-amine is sourced from PubChem (CID 116643547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).