N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)

C15H39N3 — CID 145273852

IUPACN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.CN(CCCN)CCCN
InChIInChI=1S/C7H19N3.2C4H10/c1-10(6-2-4-8)7-3-5-9;2*1-4(2)3/h2-9H2,1H3;2*4H,1-3H3
InChIKeyWZURYWRQNNULJI-UHFFFAOYSA-N
MW261.50 g/mol
LogP2.94
Rot. Bonds6

About N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)

N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane) (PubChem CID 145273852) has the molecular formula C15H39N3 and a molecular weight of 261.50 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane).

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
PubChem CID145273852
Molecular FormulaC15H39N3
Molecular Weight261.50 g/mol
Exact Mass261.31
IUPAC NameN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.CN(CCCN)CCCN
InChIInChI=1S/C7H19N3.2C4H10/c1-10(6-2-4-8)7-3-5-9;2*1-4(2)3/h2-9H2,1H3;2*4H,1-3H3
InChIKeyWZURYWRQNNULJI-UHFFFAOYSA-N
XLogP2.94
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.50
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
3-[3-aminopropyl(methyl)amino]propane-1-thiol
CID 88890583
N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
CID 167586856
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane
CID 159083467
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 156899705
N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine
CID 71344458
2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide
CID 88790453
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)?
The IUPAC name of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane) (CID 145273852) is N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane).
What is the SMILES notation for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)?
The canonical SMILES for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane) is CC(C)C.CC(C)C.CN(CCCN)CCCN.
What is the InChIKey of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)?
The InChIKey is WZURYWRQNNULJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3.2C4H10/c1-10(6-2-4-8)7-3-5-9;2*1-4(2)3/h2-9H2,1H3;2*4H,1-3H3.
What are the key properties of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)?
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane) has a molecular weight of 261.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane) is sourced from PubChem (CID 145273852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).