N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine

C13H30N2O — CID 155605599

IUPACN,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine
SMILESCC(C)NCCCC(NC(C)C)OC(C)C
InChIInChI=1S/C13H30N2O/c1-10(2)14-9-7-8-13(15-11(3)4)16-12(5)6/h10-15H,7-9H2,1-6H3
InChIKeyOHKMKAOPNJRWNM-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.51
Rot. Bonds9

About N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine

N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine (PubChem CID 155605599) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine
PubChem CID155605599
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine
SMILESCC(C)NCCCC(NC(C)C)OC(C)C
InChIInChI=1S/C13H30N2O/c1-10(2)14-9-7-8-13(15-11(3)4)16-12(5)6/h10-15H,7-9H2,1-6H3
InChIKeyOHKMKAOPNJRWNM-UHFFFAOYSA-N
XLogP2.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-butoxybutyl)butane-1,4-diamine
CID 20459965
2-methyl-N-propan-2-yloxolan-2-amine
CID 23268712
N-propan-2-yl-4-[4-(propan-2-ylamino)butoxy]butan-1-amine
CID 56614700
4-butoxy-N-propan-2-ylbutan-1-amine
CID 57931686
N-(propan-2-yloxymethyl)butan-2-amine
CID 57985982
4-methoxy-N-propan-2-ylbutan-1-amine
CID 61814937
4-ethoxy-N-propan-2-ylbutan-1-amine
CID 62443708
N-methyl-4-propan-2-yloxybutan-1-amine
CID 62444399
N-ethyl-4-propan-2-yloxybutan-1-amine
CID 62444400
N-propan-2-yl-4-propan-2-yloxybutan-1-amine
CID 62444402
4-butan-2-yloxy-N-methylbutan-1-amine
CID 62453455
4-propan-2-yloxy-N-(4-propan-2-yloxybutyl)butan-1-amine
CID 88009893

Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine?
The IUPAC name of N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine (CID 155605599) is N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine.
What is the SMILES notation for N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine?
The canonical SMILES for N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine is CC(C)NCCCC(NC(C)C)OC(C)C.
What is the InChIKey of N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine?
The InChIKey is OHKMKAOPNJRWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-10(2)14-9-7-8-13(15-11(3)4)16-12(5)6/h10-15H,7-9H2,1-6H3.
What are the key properties of N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine?
N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)-1-propan-2-yloxybutane-1,4-diamine is sourced from PubChem (CID 155605599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).