N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine

C19H41N5 — CID 88931102

IUPACN'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine
SMILESC/N=C(\C)C(C)(C)NCCC(CCN)CCNC(C)(C)/C(C)=N/C
InChIInChI=1S/C19H41N5/c1-15(21-7)18(3,4)23-13-10-17(9-12-20)11-14-24-19(5,6)16(2)22-8/h17,23-24H,9-14,20H2,1-8H3/b21-15+,22-16+
InChIKeyVHCVOHJZEKMZKY-YHARCJFQSA-N
MW339.57 g/mol
LogP2.65
Rot. Bonds12

About N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine

N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine (PubChem CID 88931102) has the molecular formula C19H41N5 and a molecular weight of 339.57 g/mol. Its IUPAC name is N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine
PubChem CID88931102
Molecular FormulaC19H41N5
Molecular Weight339.57 g/mol
Exact Mass339.34
IUPAC NameN'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine
SMILESC/N=C(\C)C(C)(C)NCCC(CCN)CCNC(C)(C)/C(C)=N/C
InChIInChI=1S/C19H41N5/c1-15(21-7)18(3,4)23-13-10-17(9-12-20)11-14-24-19(5,6)16(2)22-8/h17,23-24H,9-14,20H2,1-8H3/b21-15+,22-16+
InChIKeyVHCVOHJZEKMZKY-YHARCJFQSA-N
XLogP2.65
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine?
The IUPAC name of N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine (CID 88931102) is N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine.
What is the SMILES notation for N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine?
The canonical SMILES for N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine is C/N=C(\C)C(C)(C)NCCC(CCN)CCNC(C)(C)/C(C)=N/C.
What is the InChIKey of N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine?
The InChIKey is VHCVOHJZEKMZKY-YHARCJFQSA-N. The full InChI is InChI=1S/C19H41N5/c1-15(21-7)18(3,4)23-13-10-17(9-12-20)11-14-24-19(5,6)16(2)22-8/h17,23-24H,9-14,20H2,1-8H3/b21-15+,22-16+.
What are the key properties of N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine?
N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine has a molecular weight of 339.57 g/mol, XLogP of 2.65, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-3-methyliminobutan-2-yl)-3-[2-[(2-methyl-3-methyliminobutan-2-yl)amino]ethyl]pentane-1,5-diamine is sourced from PubChem (CID 88931102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).