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

C14H27N3 — CID 82870831

IUPACN-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Cc1ccn(C)n1
InChIInChI=1S/C14H27N3/c1-6-7-12(11-15-14(2,3)4)10-13-8-9-17(5)16-13/h8-9,12,15H,6-7,10-11H2,1-5H3
InChIKeyIQSPDJINADKPND-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.77
Rot. Bonds6

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

N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine (PubChem CID 82870831) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
PubChem CID82870831
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Cc1ccn(C)n1
InChIInChI=1S/C14H27N3/c1-6-7-12(11-15-14(2,3)4)10-13-8-9-17(5)16-13/h8-9,12,15H,6-7,10-11H2,1-5H3
InChIKeyIQSPDJINADKPND-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82870709
2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol
CID 82871623
N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82870521
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82871294
N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
CID 107052906
2-methyl-N-[2-(2-methylphenyl)-3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82870120
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 82870237
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 82872100
2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82878363
N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82870837
3,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105025716

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine (CID 82870831) is N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine is CCCC(CNC(C)(C)C)Cc1ccn(C)n1.
What is the InChIKey of N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine?
The InChIKey is IQSPDJINADKPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-7-12(11-15-14(2,3)4)10-13-8-9-17(5)16-13/h8-9,12,15H,6-7,10-11H2,1-5H3.
What are the key properties of N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine?
N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.77, 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-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine is sourced from PubChem (CID 82870831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).