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

C13H25N3 — CID 63891510

IUPACN,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCn1cc(C(CC(C)(C)C)NC)cn1
InChIInChI=1S/C13H25N3/c1-6-7-16-10-11(9-15-16)12(14-5)8-13(2,3)4/h9-10,12,14H,6-8H2,1-5H3
InChIKeyUDDNNCWYBQXJDQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.99
Rot. Bonds5

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

N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine (PubChem CID 63891510) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
PubChem CID63891510
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCn1cc(C(CC(C)(C)C)NC)cn1
InChIInChI=1S/C13H25N3/c1-6-7-16-10-11(9-15-16)12(14-5)8-13(2,3)4/h9-10,12,14H,6-8H2,1-5H3
InChIKeyUDDNNCWYBQXJDQ-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63889821
N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 105103970
3-(methylamino)-3-(1-propylpyrazol-4-yl)propanamide
CID 103573447
N-methyl-2-propyl-1-(1-propylpyrazol-4-yl)pentan-1-amine
CID 115807187
[2,2-dimethyl-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105203000
N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 79088395
1-(3,5-dichlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808123
1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 106730571
N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 65132582
1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808315
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The IUPAC name of N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine (CID 63891510) is N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine is CCCn1cc(C(CC(C)(C)C)NC)cn1.
What is the InChIKey of N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The InChIKey is UDDNNCWYBQXJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-7-16-10-11(9-15-16)12(14-5)8-13(2,3)4/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.99, 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-1-(1-propylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 63891510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).