N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine

C11H21N3 — CID 82882063

IUPACN,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
SMILESCNCCC(C)(C)Cc1ccn(C)n1
InChIInChI=1S/C11H21N3/c1-11(2,6-7-12-3)9-10-5-8-14(4)13-10/h5,8,12H,6-7,9H2,1-4H3
InChIKeyIHALWRBQJYEMPE-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.60
Rot. Bonds5

About N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine

N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine (PubChem CID 82882063) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
PubChem CID82882063
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
SMILESCNCCC(C)(C)Cc1ccn(C)n1
InChIInChI=1S/C11H21N3/c1-11(2,6-7-12-3)9-10-5-8-14(4)13-10/h5,8,12H,6-7,9H2,1-4H3
InChIKeyIHALWRBQJYEMPE-UHFFFAOYSA-N
XLogP1.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999
N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 83159652
N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82870837
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82878363
3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116586852
N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine
CID 82865868
2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869305
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine
CID 82870607
2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82870328
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine (CID 82882063) is N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine is CNCCC(C)(C)Cc1ccn(C)n1.
What is the InChIKey of N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is IHALWRBQJYEMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,6-7-12-3)9-10-5-8-14(4)13-10/h5,8,12H,6-7,9H2,1-4H3.
What are the key properties of N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine?
N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 82882063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).