(1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine

C10H22N4 — CID 134406198

IUPAC(1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine
SMILESCNCCCN(C)/C(N)=C/C=C(/C)N
InChIInChI=1S/C10H22N4/c1-9(11)5-6-10(12)14(3)8-4-7-13-2/h5-6,13H,4,7-8,11-12H2,1-3H3/b9-5-,10-6+
InChIKeySASNAFLRDBZXQK-VTBWALSUSA-N
MW198.31 g/mol
LogP0.19
Rot. Bonds6

About (1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine

(1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine (PubChem CID 134406198) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is (1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine
PubChem CID134406198
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name(1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine
SMILESCNCCCN(C)/C(N)=C/C=C(/C)N
InChIInChI=1S/C10H22N4/c1-9(11)5-6-10(12)14(3)8-4-7-13-2/h5-6,13H,4,7-8,11-12H2,1-3H3/b9-5-,10-6+
InChIKeySASNAFLRDBZXQK-VTBWALSUSA-N
XLogP0.19
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine
CID 134406241
(1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine
CID 134406427
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
methyl-[3-(methylamino)propyl]carbamic acid
CID 18404327
N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide
CID 134406748
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
ethane;N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 143115290
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 156899705
2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide
CID 103514245
methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate
CID 112617466
N-methyl-N-[3-(methylamino)propyl]propanimidamide
CID 87549397
N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide
CID 158997171

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine (CID 134406198) is (1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine is CNCCCN(C)/C(N)=C/C=C(/C)N.
What is the InChIKey of (1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine?
The InChIKey is SASNAFLRDBZXQK-VTBWALSUSA-N. The full InChI is InChI=1S/C10H22N4/c1-9(11)5-6-10(12)14(3)8-4-7-13-2/h5-6,13H,4,7-8,11-12H2,1-3H3/b9-5-,10-6+.
What are the key properties of (1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine has a molecular weight of 198.31 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 134406198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).