N',N'-dibutylpropane-1,3-diamine

C11H26N2 — CID 1626

IUPACN',N'-dibutylpropane-1,3-diamine
SMILESCCCCN(CCCC)CCCN
InChIInChI=1S/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3
InChIKeyKYCGURZGBKFEQB-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.24
Rot. Bonds9

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

N',N'-dibutylpropane-1,3-diamine (PubChem CID 1626) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N',N'-dibutylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dibutylpropane-1,3-diamine
PubChem CID1626
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN',N'-dibutylpropane-1,3-diamine
SMILESCCCCN(CCCC)CCCN
InChIInChI=1S/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3
InChIKeyKYCGURZGBKFEQB-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Spermidine
CID 1102
Spermine
CID 1103
N,N-Dimethyl-1,3-propanediamine
CID 7993
Dibutylamine
CID 8148
N1-(4-Aminobutyl)-1,4-butanediamine
CID 368
N,N-Diethyl-1,3-propanediamine
CID 61011
N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine
CID 81207
N,N-bis(3-aminopropyl)methylamine
CID 7777
Dimethyldipropylenetriamine
CID 82728
Npc322806
CID 6992097
N-Propyl-1,3-propanediamine
CID 90250
N,N,N',N'-Tetrakis(3-aminopropyl)-1,4-butanediamine
CID 4453621

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutylpropane-1,3-diamine?
The IUPAC name of N',N'-dibutylpropane-1,3-diamine (CID 1626) is N',N'-dibutylpropane-1,3-diamine.
What is the SMILES notation for N',N'-dibutylpropane-1,3-diamine?
The canonical SMILES for N',N'-dibutylpropane-1,3-diamine is CCCCN(CCCC)CCCN.
What is the InChIKey of N',N'-dibutylpropane-1,3-diamine?
The InChIKey is KYCGURZGBKFEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3.
What are the key properties of N',N'-dibutylpropane-1,3-diamine?
N',N'-dibutylpropane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutylpropane-1,3-diamine is sourced from PubChem (CID 1626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).