N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine

C14H28N2O — CID 55089415

IUPACN'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCNCC1CCCO1)CC1CC1
InChIInChI=1S/C14H28N2O/c1-12(2)16(11-13-5-6-13)8-7-15-10-14-4-3-9-17-14/h12-15H,3-11H2,1-2H3
InChIKeyVYDYJVPZAAXRMW-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds8

About N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine

N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 55089415) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID55089415
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCNCC1CCCO1)CC1CC1
InChIInChI=1S/C14H28N2O/c1-12(2)16(11-13-5-6-13)8-7-15-10-14-4-3-9-17-14/h12-15H,3-11H2,1-2H3
InChIKeyVYDYJVPZAAXRMW-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
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

2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 63939905
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43403677
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 63388013
N'-methyl-N-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 62561860
N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62575237
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine
CID 106512734
N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
CID 60867492
2-(3-methylbutan-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107757225

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine (CID 55089415) is N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCNCC1CCCO1)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is VYDYJVPZAAXRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)16(11-13-5-6-13)8-7-15-10-14-4-3-9-17-14/h12-15H,3-11H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine?
N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55089415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).