1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine

C10H24N2 — CID 23505022

IUPAC1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine
SMILESCCC(C)CC(N(C)C)N(C)C
InChIInChI=1S/C10H24N2/c1-7-9(2)8-10(11(3)4)12(5)6/h9-10H,7-8H2,1-6H3
InChIKeyFNLWBIZJAGYGFF-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.87
Rot. Bonds5

About 1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine

1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine (PubChem CID 23505022) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine
PubChem CID23505022
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine
SMILESCCC(C)CC(N(C)C)N(C)C
InChIInChI=1S/C10H24N2/c1-7-9(2)8-10(11(3)4)12(5)6/h9-10H,7-8H2,1-6H3
InChIKeyFNLWBIZJAGYGFF-UHFFFAOYSA-N
XLogP1.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.87
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

1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine
CID 87407012
3,5-dimethylheptane;ethane
CID 172617343
(4S)-2,4-dimethylhexane
CID 22810193
2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol
CID 118162058
(4R)-2,4-dimethylhexane;methane
CID 157133469
(5S)-3-ethyl-5-methylheptane
CID 59094044
2,4-dimethylhexane;propane
CID 143348383
(3R,6S)-3-fluoro-4,6-dimethyloctane
CID 134189007
3,5,7,10,12-pentamethyltetradecane
CID 59582352
(2S)-4-methylhexan-2-amine
CID 141201507
4-methylhexane-2-thiol
CID 118408807
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine (CID 23505022) is 1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine is CCC(C)CC(N(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine?
The InChIKey is FNLWBIZJAGYGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-7-9(2)8-10(11(3)4)12(5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine?
1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.87, 5 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',3-pentamethylpentane-1,1-diamine is sourced from PubChem (CID 23505022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).