N',2,2-trimethyl-N'-propylbutane-1,4-diamine

C10H24N2 — CID 65246982

IUPACN',2,2-trimethyl-N'-propylbutane-1,4-diamine
SMILESCCCN(C)CCC(C)(C)CN
InChIInChI=1S/C10H24N2/c1-5-7-12(4)8-6-10(2,3)9-11/h5-9,11H2,1-4H3
InChIKeyKHONFVHREWXOCJ-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.70
Rot. Bonds6

About N',2,2-trimethyl-N'-propylbutane-1,4-diamine

N',2,2-trimethyl-N'-propylbutane-1,4-diamine (PubChem CID 65246982) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-propylbutane-1,4-diamine
PubChem CID65246982
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN',2,2-trimethyl-N'-propylbutane-1,4-diamine
SMILESCCCN(C)CCC(C)(C)CN
InChIInChI=1S/C10H24N2/c1-5-7-12(4)8-6-10(2,3)9-11/h5-9,11H2,1-4H3
InChIKeyKHONFVHREWXOCJ-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',2,2-trimethyl-N'-propylpentane-1,5-diamine
CID 65254018
N'-ethyl-N',2,2-trimethylbutane-1,4-diamine
CID 65246754
N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane
CID 142493951
N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247113
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652389
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
ethane;N'-methyl-N'-propylethane-1,2-diamine
CID 164863386
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
CID 104551463
N,2,2-trimethyl-N-propylpentan-1-amine
CID 143480097
N'-cyclopropyl-N',2,2-trimethylbutane-1,4-diamine
CID 65246811
N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine
CID 115205056

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-propylbutane-1,4-diamine?
The IUPAC name of N',2,2-trimethyl-N'-propylbutane-1,4-diamine (CID 65246982) is N',2,2-trimethyl-N'-propylbutane-1,4-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-propylbutane-1,4-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-propylbutane-1,4-diamine is CCCN(C)CCC(C)(C)CN.
What is the InChIKey of N',2,2-trimethyl-N'-propylbutane-1,4-diamine?
The InChIKey is KHONFVHREWXOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-7-12(4)8-6-10(2,3)9-11/h5-9,11H2,1-4H3.
What are the key properties of N',2,2-trimethyl-N'-propylbutane-1,4-diamine?
N',2,2-trimethyl-N'-propylbutane-1,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-propylbutane-1,4-diamine is sourced from PubChem (CID 65246982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).