N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine

C14H26N4 — CID 10106170

IUPACN'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
SMILESNCCCNCc1ccc(CNCCCN)cc1
InChIInChI=1S/C14H26N4/c15-7-1-9-17-11-13-3-5-14(6-4-13)12-18-10-2-8-16/h3-6,17-18H,1-2,7-12,15-16H2
InChIKeySOPRYFPTXKLOJN-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.56
Rot. Bonds10

About N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine

N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine (PubChem CID 10106170) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
PubChem CID10106170
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
SMILESNCCCNCc1ccc(CNCCCN)cc1
InChIInChI=1S/C14H26N4/c15-7-1-9-17-11-13-3-5-14(6-4-13)12-18-10-2-8-16/h3-6,17-18H,1-2,7-12,15-16H2
InChIKeySOPRYFPTXKLOJN-UHFFFAOYSA-N
XLogP0.56
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[[4-(5-aminopentyl)phenyl]methyl]propane-1,3-diamine
CID 58260406
N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 11140144
2-[4-[(3-aminopropylamino)methyl]phenyl]acetic acid
CID 103248106
N'-[(4-aminophenyl)methyl]ethane-1,2-diamine
CID 13286601
N'-benzylheptane-1,7-diamine
CID 61150072
N'-benzyldodecane-1,12-diamine
CID 10589617
N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
CID 18353717
N'-[[4-[[(1-aminocyclohexyl)methylamino]methyl]phenyl]methyl]propane-1,3-diamine
CID 11255168
N'-(pyridin-4-ylmethyl)hexane-1,6-diamine
CID 83959522
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine
CID 70658066
N'-[[4-[4-[(2-aminoethylamino)methyl]phenoxy]phenyl]methyl]ethane-1,2-diamine
CID 154146125

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine (CID 10106170) is N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine is NCCCNCc1ccc(CNCCCN)cc1.
What is the InChIKey of N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine?
The InChIKey is SOPRYFPTXKLOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c15-7-1-9-17-11-13-3-5-14(6-4-13)12-18-10-2-8-16/h3-6,17-18H,1-2,7-12,15-16H2.
What are the key properties of N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine?
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 0.56, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 10106170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).