N',N'-di(propan-2-yl)pentane-1,5-diamine

C11H26N2 — CID 3790585

IUPACN',N'-di(propan-2-yl)pentane-1,5-diamine
SMILESCC(C)N(CCCCCN)C(C)C
InChIInChI=1S/C11H26N2/c1-10(2)13(11(3)4)9-7-5-6-8-12/h10-11H,5-9,12H2,1-4H3
InChIKeyCIFBCEXYFFKMEB-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.23
Rot. Bonds7

About N',N'-di(propan-2-yl)pentane-1,5-diamine

N',N'-di(propan-2-yl)pentane-1,5-diamine (PubChem CID 3790585) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)pentane-1,5-diamine
PubChem CID3790585
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN',N'-di(propan-2-yl)pentane-1,5-diamine
SMILESCC(C)N(CCCCCN)C(C)C
InChIInChI=1S/C11H26N2/c1-10(2)13(11(3)4)9-7-5-6-8-12/h10-11H,5-9,12H2,1-4H3
InChIKeyCIFBCEXYFFKMEB-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-di(propan-2-yl)pentane-1,5-diamine?
The IUPAC name of N',N'-di(propan-2-yl)pentane-1,5-diamine (CID 3790585) is N',N'-di(propan-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N',N'-di(propan-2-yl)pentane-1,5-diamine?
The canonical SMILES for N',N'-di(propan-2-yl)pentane-1,5-diamine is CC(C)N(CCCCCN)C(C)C.
What is the InChIKey of N',N'-di(propan-2-yl)pentane-1,5-diamine?
The InChIKey is CIFBCEXYFFKMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-10(2)13(11(3)4)9-7-5-6-8-12/h10-11H,5-9,12H2,1-4H3.
What are the key properties of N',N'-di(propan-2-yl)pentane-1,5-diamine?
N',N'-di(propan-2-yl)pentane-1,5-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 3790585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).