[4-(aminomethyl)piperazin-1-yl]methanamine;methane

C10H32N4 — CID 159106814

IUPAC[4-(aminomethyl)piperazin-1-yl]methanamine;methane
SMILESC.C.C.C.NCN1CCN(CN)CC1
InChIInChI=1S/C6H16N4.4CH4/c7-5-9-1-2-10(6-8)4-3-9;;;;/h1-8H2;4*1H4
InChIKeyKDZJPEALZGAJDU-UHFFFAOYSA-N
MW208.39 g/mol
LogP0.98
Rot. Bonds2

About [4-(aminomethyl)piperazin-1-yl]methanamine;methane

[4-(aminomethyl)piperazin-1-yl]methanamine;methane (PubChem CID 159106814) has the molecular formula C10H32N4 and a molecular weight of 208.39 g/mol. Its IUPAC name is [4-(aminomethyl)piperazin-1-yl]methanamine;methane.

Molecular Properties

Compound Name[4-(aminomethyl)piperazin-1-yl]methanamine;methane
PubChem CID159106814
Molecular FormulaC10H32N4
Molecular Weight208.39 g/mol
Exact Mass208.26
IUPAC Name[4-(aminomethyl)piperazin-1-yl]methanamine;methane
SMILESC.C.C.C.NCN1CCN(CN)CC1
InChIInChI=1S/C6H16N4.4CH4/c7-5-9-1-2-10(6-8)4-3-9;;;;/h1-8H2;4*1H4
InChIKeyKDZJPEALZGAJDU-UHFFFAOYSA-N
XLogP0.98
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)piperazin-1-yl]acetonitrile
CID 155330368
ethane;piperidin-1-ylmethanamine
CID 166079141
4-(aminomethyl)piperazine-1-carboxamide
CID 22006108
[4-(2-methoxyethyl)piperazin-1-yl]methanamine
CID 146312052
3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine
CID 170951585
(4-methoxypiperidin-1-yl)methanamine
CID 129270206
1-[1-(aminomethyl)piperidin-4-yl]-N-methylmethanamine
CID 146320414
(3-cyclopropylpyrrolidin-1-yl)methanamine
CID 126583276
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
(3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine
CID 167084307
1-(aminomethyl)pyrrolidine-3,4-diol
CID 67191860
[(4S)-4-methoxyazepan-1-yl]methanamine
CID 178155799

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperazin-1-yl]methanamine;methane?
The IUPAC name of [4-(aminomethyl)piperazin-1-yl]methanamine;methane (CID 159106814) is [4-(aminomethyl)piperazin-1-yl]methanamine;methane.
What is the SMILES notation for [4-(aminomethyl)piperazin-1-yl]methanamine;methane?
The canonical SMILES for [4-(aminomethyl)piperazin-1-yl]methanamine;methane is C.C.C.C.NCN1CCN(CN)CC1.
What is the InChIKey of [4-(aminomethyl)piperazin-1-yl]methanamine;methane?
The InChIKey is KDZJPEALZGAJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4.4CH4/c7-5-9-1-2-10(6-8)4-3-9;;;;/h1-8H2;4*1H4.
What are the key properties of [4-(aminomethyl)piperazin-1-yl]methanamine;methane?
[4-(aminomethyl)piperazin-1-yl]methanamine;methane has a molecular weight of 208.39 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperazin-1-yl]methanamine;methane is sourced from PubChem (CID 159106814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).