N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine

C16H27N3 — CID 141362504

IUPACN-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
SMILESCC(C)(C)n1ccc(CN(CC2CC2)CC2CC2)n1
InChIInChI=1S/C16H27N3/c1-16(2,3)19-9-8-15(17-19)12-18(10-13-4-5-13)11-14-6-7-14/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKeyYIYSENQYKQANGM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.26
Rot. Bonds6

About N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine

N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine (PubChem CID 141362504) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
PubChem CID141362504
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
SMILESCC(C)(C)n1ccc(CN(CC2CC2)CC2CC2)n1
InChIInChI=1S/C16H27N3/c1-16(2,3)19-9-8-15(17-19)12-18(10-13-4-5-13)11-14-6-7-14/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKeyYIYSENQYKQANGM-UHFFFAOYSA-N
XLogP3.26
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine?
The IUPAC name of N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine (CID 141362504) is N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine?
The canonical SMILES for N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine is CC(C)(C)n1ccc(CN(CC2CC2)CC2CC2)n1.
What is the InChIKey of N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine?
The InChIKey is YIYSENQYKQANGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(2,3)19-9-8-15(17-19)12-18(10-13-4-5-13)11-14-6-7-14/h8-9,13-14H,4-7,10-12H2,1-3H3.
What are the key properties of N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine?
N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-3-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine is sourced from PubChem (CID 141362504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).