1-N"-methylpropane-1,1,1,2,2-pentamine

C4H15N5 — CID 163613677

IUPAC1-N"-methylpropane-1,1,1,2,2-pentamine
SMILESCNC(N)(N)C(C)(N)N
InChIInChI=1S/C4H15N5/c1-3(5,6)4(7,8)9-2/h9H,5-8H2,1-2H3
InChIKeyHICZPGZFOPGNMP-UHFFFAOYSA-N
MW133.20 g/mol
LogP-2.59
Rot. Bonds2

About 1-N"-methylpropane-1,1,1,2,2-pentamine

1-N"-methylpropane-1,1,1,2,2-pentamine (PubChem CID 163613677) has the molecular formula C4H15N5 and a molecular weight of 133.20 g/mol. Its IUPAC name is 1-N"-methylpropane-1,1,1,2,2-pentamine.

Molecular Properties

Compound Name1-N"-methylpropane-1,1,1,2,2-pentamine
PubChem CID163613677
Molecular FormulaC4H15N5
Molecular Weight133.20 g/mol
Exact Mass133.13
IUPAC Name1-N"-methylpropane-1,1,1,2,2-pentamine
SMILESCNC(N)(N)C(C)(N)N
InChIInChI=1S/C4H15N5/c1-3(5,6)4(7,8)9-2/h9H,5-8H2,1-2H3
InChIKeyHICZPGZFOPGNMP-UHFFFAOYSA-N
XLogP-2.59
TPSA116.11 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.20
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propane-1,1,1,2,2-pentamine
CID 21225260
2-N'-methylbut-3-ene-2,2-diamine
CID 123441192
N,2-dimethylpropan-2-amine;bis(N-methylmethanamine)
CID 170750013
2-N,2-N',2-N'-trimethylpropane-2,2-diamine
CID 22947929
3-amino-3-(methylamino)butan-2-one
CID 90769202
ethane;2-methylpropan-2-amine
CID 142052554
tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)
CID 159299187
CID 175795972
CID 175795972
bis(2-methylpropan-2-amine);dihydrochloride
CID 175186319
3-[diamino(hydrazinyl)methyl]pentan-3-ol
CID 54080942
1-amino-3-methyl-3-(methylamino)butan-2-ol
CID 139754066
3-N,2,3-trimethylhexane-2,3-diamine
CID 142608976

Frequently Asked Questions

What is the IUPAC name of 1-N"-methylpropane-1,1,1,2,2-pentamine?
The IUPAC name of 1-N"-methylpropane-1,1,1,2,2-pentamine (CID 163613677) is 1-N"-methylpropane-1,1,1,2,2-pentamine.
What is the SMILES notation for 1-N"-methylpropane-1,1,1,2,2-pentamine?
The canonical SMILES for 1-N"-methylpropane-1,1,1,2,2-pentamine is CNC(N)(N)C(C)(N)N.
What is the InChIKey of 1-N"-methylpropane-1,1,1,2,2-pentamine?
The InChIKey is HICZPGZFOPGNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H15N5/c1-3(5,6)4(7,8)9-2/h9H,5-8H2,1-2H3.
What are the key properties of 1-N"-methylpropane-1,1,1,2,2-pentamine?
1-N"-methylpropane-1,1,1,2,2-pentamine has a molecular weight of 133.20 g/mol, XLogP of -2.59, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N"-methylpropane-1,1,1,2,2-pentamine is sourced from PubChem (CID 163613677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).