N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine

C16H27N5 — CID 66451855

IUPACN-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C16H27N5/c1-2-5-17-10-15-11-18-12-16(19-15)21-8-6-20(7-9-21)13-14-3-4-14/h11-12,14,17H,2-10,13H2,1H3
InChIKeyBZKIMXJRANEFBY-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.51
Rot. Bonds7

About N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine

N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 66451855) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
PubChem CID66451855
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C16H27N5/c1-2-5-17-10-15-11-18-12-16(19-15)21-8-6-20(7-9-21)13-14-3-4-14/h11-12,14,17H,2-10,13H2,1H3
InChIKeyBZKIMXJRANEFBY-UHFFFAOYSA-N
XLogP1.51
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine (CID 66451855) is N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cncc(N2CCN(CC3CC3)CC2)n1.
What is the InChIKey of N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is BZKIMXJRANEFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-2-5-17-10-15-11-18-12-16(19-15)21-8-6-20(7-9-21)13-14-3-4-14/h11-12,14,17H,2-10,13H2,1H3.
What are the key properties of N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine?
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 289.43 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66451855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).