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

C13H29N5O2 — CID 87098923

IUPACN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.CN(CCCN)CCCN
InChIInChI=1S/C7H19N3.2C3H5NO/c1-10(6-2-4-8)7-3-5-9;2*1-2-3(4)5/h2-9H2,1H3;2*2H,1H2,(H2,4,5)
InChIKeyXVEKDDLBPVNOSP-UHFFFAOYSA-N
MW287.41 g/mol
LogP-1.07
Rot. Bonds8

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

N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide) (PubChem CID 87098923) has the molecular formula C13H29N5O2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide).

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide)
PubChem CID87098923
Molecular FormulaC13H29N5O2
Molecular Weight287.41 g/mol
Exact Mass287.23
IUPAC NameN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.CN(CCCN)CCCN
InChIInChI=1S/C7H19N3.2C3H5NO/c1-10(6-2-4-8)7-3-5-9;2*1-2-3(4)5/h2-9H2,1H3;2*2H,1H2,(H2,4,5)
InChIKeyXVEKDDLBPVNOSP-UHFFFAOYSA-N
XLogP-1.07
TPSA141.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane-1,2-diamine;bis(prop-2-enamide)
CID 23336954
3-[3-aminopropyl(methyl)amino]propyl carbamate
CID 155026882
decan-1-amine;prop-2-enamide
CID 162009588
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
N,N-dimethylpropan-1-amine;bis(prop-2-enamide)
CID 158610265
N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide
CID 174642702
2-aminoethanol;prop-2-enamide
CID 160789080
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide
CID 115319221
N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide
CID 59112836
pentane;prop-2-enamide
CID 139391622

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide)?
The IUPAC name of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide) (CID 87098923) is N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide).
What is the SMILES notation for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide)?
The canonical SMILES for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide) is C=CC(N)=O.C=CC(N)=O.CN(CCCN)CCCN.
What is the InChIKey of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide)?
The InChIKey is XVEKDDLBPVNOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3.2C3H5NO/c1-10(6-2-4-8)7-3-5-9;2*1-2-3(4)5/h2-9H2,1H3;2*2H,1H2,(H2,4,5).
What are the key properties of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide)?
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide) has a molecular weight of 287.41 g/mol, XLogP of -1.07, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide) is sourced from PubChem (CID 87098923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).