N-butan-2-yl-N',N'-dipropylethane-1,2-diamine

C12H28N2 — CID 54809596

IUPACN-butan-2-yl-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNC(C)CC
InChIInChI=1S/C12H28N2/c1-5-9-14(10-6-2)11-8-13-12(4)7-3/h12-13H,5-11H2,1-4H3
InChIKeyHYKYDHIIIWEUIL-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds9

About N-butan-2-yl-N',N'-dipropylethane-1,2-diamine

N-butan-2-yl-N',N'-dipropylethane-1,2-diamine (PubChem CID 54809596) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N-butan-2-yl-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N',N'-dipropylethane-1,2-diamine
PubChem CID54809596
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN-butan-2-yl-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNC(C)CC
InChIInChI=1S/C12H28N2/c1-5-9-14(10-6-2)11-8-13-12(4)7-3/h12-13H,5-11H2,1-4H3
InChIKeyHYKYDHIIIWEUIL-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(butan-2-ylamino)ethyl-(2-hydroxyethyl)amino]ethanol
CID 130198825
N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine
CID 62574843
N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 61418838
N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
CID 60852501
N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine
CID 60852498
2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
CID 5239027
N'-[2-(propan-2-ylamino)ethyl]-N'-propylpropane-1,3-diamine
CID 146254947
N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine
CID 55089009
N',N'-bis(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
CID 62560843
(2H)iodane;N-propylbutan-2-amine
CID 160782338
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
N-butan-2-yl-3-methylbutan-1-amine;ethane
CID 142990947

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N',N'-dipropylethane-1,2-diamine (CID 54809596) is N-butan-2-yl-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CCNC(C)CC.
What is the InChIKey of N-butan-2-yl-N',N'-dipropylethane-1,2-diamine?
The InChIKey is HYKYDHIIIWEUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-9-14(10-6-2)11-8-13-12(4)7-3/h12-13H,5-11H2,1-4H3.
What are the key properties of N-butan-2-yl-N',N'-dipropylethane-1,2-diamine?
N-butan-2-yl-N',N'-dipropylethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 54809596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).