1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine

C14H26N4 — CID 103527503

IUPAC1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
SMILESCCCC1(CNCc2cn(C(C)(C)C)nn2)CC1
InChIInChI=1S/C14H26N4/c1-5-6-14(7-8-14)11-15-9-12-10-18(17-16-12)13(2,3)4/h10,15H,5-9,11H2,1-4H3
InChIKeyDYPNRTLPPGPPQO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.70
Rot. Bonds6

About 1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine

1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine (PubChem CID 103527503) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
PubChem CID103527503
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
SMILESCCCC1(CNCc2cn(C(C)(C)C)nn2)CC1
InChIInChI=1S/C14H26N4/c1-5-6-14(7-8-14)11-15-9-12-10-18(17-16-12)13(2,3)4/h10,15H,5-9,11H2,1-4H3
InChIKeyDYPNRTLPPGPPQO-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine (CID 103527503) is 1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine is CCCC1(CNCc2cn(C(C)(C)C)nn2)CC1.
What is the InChIKey of 1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The InChIKey is DYPNRTLPPGPPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-6-14(7-8-14)11-15-9-12-10-18(17-16-12)13(2,3)4/h10,15H,5-9,11H2,1-4H3.
What are the key properties of 1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine?
1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 103527503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).