3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine

C17H32N4 — CID 43254686

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCCc2c1cnn2C)N(C)C
InChIInChI=1S/C17H32N4/c1-6-13(7-2)17(20(3)4)12-18-15-9-8-10-16-14(15)11-19-21(16)5/h11,13,15,17-18H,6-10,12H2,1-5H3
InChIKeyKMWWXJLUSFTPAH-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.75
Rot. Bonds7

About 3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine

3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine (PubChem CID 43254686) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine
PubChem CID43254686
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCCc2c1cnn2C)N(C)C
InChIInChI=1S/C17H32N4/c1-6-13(7-2)17(20(3)4)12-18-15-9-8-10-16-14(15)11-19-21(16)5/h11,13,15,17-18H,6-10,12H2,1-5H3
InChIKeyKMWWXJLUSFTPAH-UHFFFAOYSA-N
XLogP2.75
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine with MolForge

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Related Compounds

1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine
CID 43254622
3-ethyl-2-N,2-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentane-1,2-diamine
CID 43101560
(2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
CID 104980497
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247635
1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 115694381
N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727357
1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea
CID 83117026
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
CID 71916265
3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine
CID 79079669
N-(2-chloroprop-2-enyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115890898
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine (CID 43254686) is 3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine is CCC(CC)C(CNC1CCCc2c1cnn2C)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine?
The InChIKey is KMWWXJLUSFTPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-13(7-2)17(20(3)4)12-18-15-9-8-10-16-14(15)11-19-21(16)5/h11,13,15,17-18H,6-10,12H2,1-5H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine is sourced from PubChem (CID 43254686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).