1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine

C14H28N4 — CID 81490431

IUPAC1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H28N4/c1-11(2)14(15)7-8-17(5)10-13-6-9-18(16-13)12(3)4/h6,9,11-12,14H,7-8,10,15H2,1-5H3
InChIKeyWNHKUXAKYGGTFW-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.27
Rot. Bonds7

About 1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine

1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine (PubChem CID 81490431) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine
PubChem CID81490431
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H28N4/c1-11(2)14(15)7-8-17(5)10-13-6-9-18(16-13)12(3)4/h6,9,11-12,14H,7-8,10,15H2,1-5H3
InChIKeyWNHKUXAKYGGTFW-UHFFFAOYSA-N
XLogP2.27
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine (CID 81490431) is 1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine is CC(C)C(N)CCN(C)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine?
The InChIKey is WNHKUXAKYGGTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-11(2)14(15)7-8-17(5)10-13-6-9-18(16-13)12(3)4/h6,9,11-12,14H,7-8,10,15H2,1-5H3.
What are the key properties of 1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine?
1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine is sourced from PubChem (CID 81490431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).