N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine

C15H29N3 — CID 82870837

IUPACN-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCC(CC)(CNC(C)(C)C)Cc1ccn(C)n1
InChIInChI=1S/C15H29N3/c1-7-15(8-2,12-16-14(3,4)5)11-13-9-10-18(6)17-13/h9-10,16H,7-8,11-12H2,1-6H3
InChIKeyJLUDRSXVJYVOPH-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.16
Rot. Bonds6

About N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine

N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine (PubChem CID 82870837) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
PubChem CID82870837
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCC(CC)(CNC(C)(C)C)Cc1ccn(C)n1
InChIInChI=1S/C15H29N3/c1-7-15(8-2,12-16-14(3,4)5)11-13-9-10-18(6)17-13/h9-10,16H,7-8,11-12H2,1-6H3
InChIKeyJLUDRSXVJYVOPH-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine
CID 82870607
N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 82870716
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol
CID 82871026
2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82878363
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid
CID 82869291
N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882063
N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 82870831
N,2,3-trimethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 83159652
2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83160224
diethyl 2-methyl-2-[(1-methylpyrazol-3-yl)methyl]propanedioate
CID 103972610
N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82870521

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine (CID 82870837) is N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine is CCC(CC)(CNC(C)(C)C)Cc1ccn(C)n1.
What is the InChIKey of N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
The InChIKey is JLUDRSXVJYVOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-7-15(8-2,12-16-14(3,4)5)11-13-9-10-18(6)17-13/h9-10,16H,7-8,11-12H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 82870837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).