N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine

C14H29N5 — CID 62418960

IUPACN-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine
SMILESCCC(C)N(C)CCn1cc(CNCC(C)C)nn1
InChIInChI=1S/C14H29N5/c1-6-13(4)18(5)7-8-19-11-14(16-17-19)10-15-9-12(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyCWMATLADBUJTCZ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.75
Rot. Bonds9

About N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine

N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine (PubChem CID 62418960) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine
PubChem CID62418960
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC NameN-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine
SMILESCCC(C)N(C)CCn1cc(CNCC(C)C)nn1
InChIInChI=1S/C14H29N5/c1-6-13(4)18(5)7-8-19-11-14(16-17-19)10-15-9-12(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyCWMATLADBUJTCZ-UHFFFAOYSA-N
XLogP1.75
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62427792
2-methyl-N-[[1-[2-[methyl(2-propan-2-yloxyethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 81064369
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
CID 62433817
N-[[1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62435948
N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63691433
N-[[1-[2-[cyclobutylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62855866
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
CID 62426850
2-methyl-N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62421401
N-methyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]pentan-2-amine
CID 55074863
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112665709
2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine
CID 62425058
2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62457361

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine?
The IUPAC name of N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine (CID 62418960) is N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine.
What is the SMILES notation for N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine?
The canonical SMILES for N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine is CCC(C)N(C)CCn1cc(CNCC(C)C)nn1.
What is the InChIKey of N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine?
The InChIKey is CWMATLADBUJTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-6-13(4)18(5)7-8-19-11-14(16-17-19)10-15-9-12(2)3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine?
N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine is sourced from PubChem (CID 62418960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).