(1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane

C24H41N5 — CID 144575951

IUPAC(1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane
SMILESCC(C)C.CCC(N)CCNC1=C(/C(N)=C/C=C(/C)N)C=C2C=C(C)C=CC2N1
InChIInChI=1S/C20H31N5.C4H10/c1-4-16(22)9-10-24-20-17(18(23)7-6-14(3)21)12-15-11-13(2)5-8-19(15)25-20;1-4(2)3/h5-8,11-12,16,19,24-25H,4,9-10,21-23H2,1-3H3;4H,1-3H3/b14-6-,18-7-;
InChIKeyRHNPEHKAGHLAHJ-FSQLUHFPSA-N
MW399.63 g/mol
LogP3.70
Rot. Bonds7

About (1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane

(1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane (PubChem CID 144575951) has the molecular formula C24H41N5 and a molecular weight of 399.63 g/mol. Its IUPAC name is (1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane.

Molecular Properties

Compound Name(1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane
PubChem CID144575951
Molecular FormulaC24H41N5
Molecular Weight399.63 g/mol
Exact Mass399.34
IUPAC Name(1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane
SMILESCC(C)C.CCC(N)CCNC1=C(/C(N)=C/C=C(/C)N)C=C2C=C(C)C=CC2N1
InChIInChI=1S/C20H31N5.C4H10/c1-4-16(22)9-10-24-20-17(18(23)7-6-14(3)21)12-15-11-13(2)5-8-19(15)25-20;1-4(2)3/h5-8,11-12,16,19,24-25H,4,9-10,21-23H2,1-3H3;4H,1-3H3/b14-6-,18-7-;
InChIKeyRHNPEHKAGHLAHJ-FSQLUHFPSA-N
XLogP3.70
TPSA102.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.63
LogP ≤ 53.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane?
The IUPAC name of (1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane (CID 144575951) is (1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane.
What is the SMILES notation for (1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane?
The canonical SMILES for (1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane is CC(C)C.CCC(N)CCNC1=C(/C(N)=C/C=C(/C)N)C=C2C=C(C)C=CC2N1.
What is the InChIKey of (1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane?
The InChIKey is RHNPEHKAGHLAHJ-FSQLUHFPSA-N. The full InChI is InChI=1S/C20H31N5.C4H10/c1-4-16(22)9-10-24-20-17(18(23)7-6-14(3)21)12-15-11-13(2)5-8-19(15)25-20;1-4(2)3/h5-8,11-12,16,19,24-25H,4,9-10,21-23H2,1-3H3;4H,1-3H3/b14-6-,18-7-;.
What are the key properties of (1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane?
(1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane has a molecular weight of 399.63 g/mol, XLogP of 3.70, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-[2-(3-aminopentylamino)-6-methyl-1,8a-dihydroquinolin-3-yl]penta-1,3-diene-1,4-diamine;2-methylpropane is sourced from PubChem (CID 144575951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).