N'-heptan-2-yl-2-methoxypropane-1,3-diamine

C11H26N2O — CID 106114667

IUPACN'-heptan-2-yl-2-methoxypropane-1,3-diamine
SMILESCCCCCC(C)NCC(CN)OC
InChIInChI=1S/C11H26N2O/c1-4-5-6-7-10(2)13-9-11(8-12)14-3/h10-11,13H,4-9,12H2,1-3H3
InChIKeyBJBXNLCJUIGSKR-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.52
Rot. Bonds9

About N'-heptan-2-yl-2-methoxypropane-1,3-diamine

N'-heptan-2-yl-2-methoxypropane-1,3-diamine (PubChem CID 106114667) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N'-heptan-2-yl-2-methoxypropane-1,3-diamine.

Molecular Properties

Compound NameN'-heptan-2-yl-2-methoxypropane-1,3-diamine
PubChem CID106114667
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN'-heptan-2-yl-2-methoxypropane-1,3-diamine
SMILESCCCCCC(C)NCC(CN)OC
InChIInChI=1S/C11H26N2O/c1-4-5-6-7-10(2)13-9-11(8-12)14-3/h10-11,13H,4-9,12H2,1-3H3
InChIKeyBJBXNLCJUIGSKR-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
1-(heptan-2-ylamino)-3-methylpentan-2-ol
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1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43109334
1-N-hexan-2-ylpropane-1,2-diamine
CID 62201000
N-heptan-2-yl-N',2-dimethylpropane-1,3-diamine
CID 79201836
3-(heptan-2-ylamino)-2-methylpropanamide
CID 61464618
(2R)-N-(2-fluoroethyl)heptan-2-amine
CID 124512751
9-methoxypentadecan-2-amine
CID 89335213
4-methoxy-2-methyltridecane
CID 150137637
(5S)-5-methoxyundecane
CID 118889956
N'-dodecan-2-ylpentane-1,5-diamine
CID 175187271
N-octan-2-ylnonan-1-amine
CID 63491715

Frequently Asked Questions

What is the IUPAC name of N'-heptan-2-yl-2-methoxypropane-1,3-diamine?
The IUPAC name of N'-heptan-2-yl-2-methoxypropane-1,3-diamine (CID 106114667) is N'-heptan-2-yl-2-methoxypropane-1,3-diamine.
What is the SMILES notation for N'-heptan-2-yl-2-methoxypropane-1,3-diamine?
The canonical SMILES for N'-heptan-2-yl-2-methoxypropane-1,3-diamine is CCCCCC(C)NCC(CN)OC.
What is the InChIKey of N'-heptan-2-yl-2-methoxypropane-1,3-diamine?
The InChIKey is BJBXNLCJUIGSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-4-5-6-7-10(2)13-9-11(8-12)14-3/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of N'-heptan-2-yl-2-methoxypropane-1,3-diamine?
N'-heptan-2-yl-2-methoxypropane-1,3-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptan-2-yl-2-methoxypropane-1,3-diamine is sourced from PubChem (CID 106114667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).