1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine

C14H26N4O — CID 107064405

IUPAC1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cn(C)nn1)CC1(OC)CCC1
InChIInChI=1S/C14H26N4O/c1-4-8-15-12(9-13-11-18(2)17-16-13)10-14(19-3)6-5-7-14/h11-12,15H,4-10H2,1-3H3
InChIKeyCMOVZQGYXSIBSB-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.68
Rot. Bonds8

About 1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine

1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine (PubChem CID 107064405) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
PubChem CID107064405
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cn(C)nn1)CC1(OC)CCC1
InChIInChI=1S/C14H26N4O/c1-4-8-15-12(9-13-11-18(2)17-16-13)10-14(19-3)6-5-7-14/h11-12,15H,4-10H2,1-3H3
InChIKeyCMOVZQGYXSIBSB-UHFFFAOYSA-N
XLogP1.68
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 103559122
1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557055
4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107051391
5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801
1-(1-methoxycyclobutyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 103559792
1-(furan-2-yl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103559757
1-(1-methoxycyclobutyl)-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557053
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556973
4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107064323
1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107048898
1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556904
1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine
CID 103559545

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine (CID 107064405) is 1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine is CCCNC(Cc1cn(C)nn1)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine?
The InChIKey is CMOVZQGYXSIBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-8-15-12(9-13-11-18(2)17-16-13)10-14(19-3)6-5-7-14/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine?
1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 107064405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).