N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine

C12H24N4 — CID 105038662

IUPACN,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
SMILESCCCn1nncc1C(CC(C)CC)NC
InChIInChI=1S/C12H24N4/c1-5-7-16-12(9-14-15-16)11(13-4)8-10(3)6-2/h9-11,13H,5-8H2,1-4H3
InChIKeyQRSSKGAPZRXVPU-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.38
Rot. Bonds7

About N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine

N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine (PubChem CID 105038662) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
PubChem CID105038662
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
SMILESCCCn1nncc1C(CC(C)CC)NC
InChIInChI=1S/C12H24N4/c1-5-7-16-12(9-14-15-16)11(13-4)8-10(3)6-2/h9-11,13H,5-8H2,1-4H3
InChIKeyQRSSKGAPZRXVPU-UHFFFAOYSA-N
XLogP2.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560
N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182268
1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 114213459
N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine
CID 105038801
2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687105
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687384
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038787
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine?
The IUPAC name of N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine (CID 105038662) is N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine?
The canonical SMILES for N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine is CCCn1nncc1C(CC(C)CC)NC.
What is the InChIKey of N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine?
The InChIKey is QRSSKGAPZRXVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-7-16-12(9-14-15-16)11(13-4)8-10(3)6-2/h9-11,13H,5-8H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine?
N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine is sourced from PubChem (CID 105038662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).