N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

C14H26N4O — CID 105038889

IUPACN-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1CCOC1C
InChIInChI=1S/C14H26N4O/c1-4-7-15-14(12-6-9-19-11(12)3)13-10-16-17-18(13)8-5-2/h10-12,14-15H,4-9H2,1-3H3
InChIKeyPMQRPBVJYSQDHO-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.15
Rot. Bonds7

About N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 105038889) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
PubChem CID105038889
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1CCOC1C
InChIInChI=1S/C14H26N4O/c1-4-7-15-14(12-6-9-19-11(12)3)13-10-16-17-18(13)8-5-2/h10-12,14-15H,4-9H2,1-3H3
InChIKeyPMQRPBVJYSQDHO-UHFFFAOYSA-N
XLogP2.15
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (CID 105038889) is N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnnn1CCC)C1CCOC1C.
What is the InChIKey of N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is PMQRPBVJYSQDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-7-15-14(12-6-9-19-11(12)3)13-10-16-17-18(13)8-5-2/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105038889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).