1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine

C14H32N2 — CID 141222296

IUPAC1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
SMILESCCCN(CCC)C(C)N(CCC)CCC
InChIInChI=1S/C14H32N2/c1-6-10-15(11-7-2)14(5)16(12-8-3)13-9-4/h14H,6-13H2,1-5H3
InChIKeyDBDUFWFXHHJABV-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.58
Rot. Bonds10

About 1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine

1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine (PubChem CID 141222296) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
PubChem CID141222296
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
SMILESCCCN(CCC)C(C)N(CCC)CCC
InChIInChI=1S/C14H32N2/c1-6-10-15(11-7-2)14(5)16(12-8-3)13-9-4/h14H,6-13H2,1-5H3
InChIKeyDBDUFWFXHHJABV-UHFFFAOYSA-N
XLogP3.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-dipropylbutan-2-amine
CID 524229
N,N-dipropylbutan-2-amine;ethane;propane
CID 143577846
(E)-N,N-dipropylpent-3-en-2-amine
CID 121218071
N,N-dipropylpent-3-en-2-amine;hydrochloride
CID 155653024
[butan-2-yl(propyl)amino]methanethiol
CID 142982154
N,N,N',N'-tetrapropyl-1-silylmethanediamine
CID 174173151
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
N-butan-2-yl-2-methyl-N-propylbutan-1-amine
CID 176917771
2-N-ethyl-2-N-propylpropane-1,2-diamine
CID 43268522
(2S)-3-methyl-N,N-dipropylbut-3-en-2-amine
CID 88994532
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
(2R)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 103934466

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine (CID 141222296) is 1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine is CCCN(CCC)C(C)N(CCC)CCC.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine?
The InChIKey is DBDUFWFXHHJABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-10-15(11-7-2)14(5)16(12-8-3)13-9-4/h14H,6-13H2,1-5H3.
What are the key properties of 1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine?
1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine is sourced from PubChem (CID 141222296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).