N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine

C11H27N3 — CID 146254947

IUPACN'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)CCNC(C)C
InChIInChI=1S/C11H27N3/c1-4-8-14(9-5-6-12)10-7-13-11(2)3/h11,13H,4-10,12H2,1-3H3
InChIKeyDVMLBHUPSAZIKL-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.05
Rot. Bonds9

About N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine

N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine (PubChem CID 146254947) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine
PubChem CID146254947
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)CCNC(C)C
InChIInChI=1S/C11H27N3/c1-4-8-14(9-5-6-12)10-7-13-11(2)3/h11,13H,4-10,12H2,1-3H3
InChIKeyDVMLBHUPSAZIKL-UHFFFAOYSA-N
XLogP1.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 63528013
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N-butan-2-yl-N',N'-dipropylethane-1,2-diamine
CID 54809596
N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine
CID 90853445
N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine
CID 164906965
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-propan-2-yloctane-1,8-diamine
CID 138605826

Frequently Asked Questions

What is the IUPAC name of N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine (CID 146254947) is N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine is CCCN(CCCN)CCNC(C)C.
What is the InChIKey of N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine?
The InChIKey is DVMLBHUPSAZIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-4-8-14(9-5-6-12)10-7-13-11(2)3/h11,13H,4-10,12H2,1-3H3.
What are the key properties of N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine?
N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine has a molecular weight of 201.36 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 146254947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).