N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine

C13H30N2O — CID 176860876

IUPACN'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
SMILESCC(C)OCCCNCCCN(C)C(C)C
InChIInChI=1S/C13H30N2O/c1-12(2)15(5)10-6-8-14-9-7-11-16-13(3)4/h12-14H,6-11H2,1-5H3
InChIKeyBRCHYVVDPSMFRA-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds10

About N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine

N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine (PubChem CID 176860876) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
PubChem CID176860876
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
SMILESCC(C)OCCCNCCCN(C)C(C)C
InChIInChI=1S/C13H30N2O/c1-12(2)15(5)10-6-8-14-9-7-11-16-13(3)4/h12-14H,6-11H2,1-5H3
InChIKeyBRCHYVVDPSMFRA-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-propan-2-yl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 62641029
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62557410
2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol
CID 106045693
N'-methyl-N'-(2-methylsulfonylethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 79859053
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107871434
N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 106045632
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562
2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide
CID 106044314
N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81055191

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine (CID 176860876) is N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine is CC(C)OCCCNCCCN(C)C(C)C.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine?
The InChIKey is BRCHYVVDPSMFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-12(2)15(5)10-6-8-14-9-7-11-16-13(3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine?
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine is sourced from PubChem (CID 176860876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).