2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide

C14H29N5O — CID 167769557

IUPAC2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2CCC(CN)CC2)C(CN)C1
InChIInChI=1S/C14H29N5O/c1-18-6-7-19(13(9-16)10-18)14(20)17-12-4-2-11(8-15)3-5-12/h11-13H,2-10,15-16H2,1H3,(H,17,20)
InChIKeyZMBQXXLDIDIXQN-UHFFFAOYSA-N
MW283.42 g/mol
LogP-0.21
Rot. Bonds3

About 2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide

2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide (PubChem CID 167769557) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide
PubChem CID167769557
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC Name2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2CCC(CN)CC2)C(CN)C1
InChIInChI=1S/C14H29N5O/c1-18-6-7-19(13(9-16)10-18)14(20)17-12-4-2-11(8-15)3-5-12/h11-13H,2-10,15-16H2,1H3,(H,17,20)
InChIKeyZMBQXXLDIDIXQN-UHFFFAOYSA-N
XLogP-0.21
TPSA87.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide (CID 167769557) is 2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NC2CCC(CN)CC2)C(CN)C1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is ZMBQXXLDIDIXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-18-6-7-19(13(9-16)10-18)14(20)17-12-4-2-11(8-15)3-5-12/h11-13H,2-10,15-16H2,1H3,(H,17,20).
What are the key properties of 2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide?
2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 167769557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).