N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine

C16H34N2O — CID 63707835

IUPACN-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
SMILESCN(CCCCCNC(C)(C)C)CC1CCCOC1
InChIInChI=1S/C16H34N2O/c1-16(2,3)17-10-6-5-7-11-18(4)13-15-9-8-12-19-14-15/h15,17H,5-14H2,1-4H3
InChIKeyIZMSCIKGKHJWCV-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

About N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine

N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine (PubChem CID 63707835) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
PubChem CID63707835
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
SMILESCN(CCCCCNC(C)(C)C)CC1CCCOC1
InChIInChI=1S/C16H34N2O/c1-16(2,3)17-10-6-5-7-11-18(4)13-15-9-8-12-19-14-15/h15,17H,5-14H2,1-4H3
InChIKeyIZMSCIKGKHJWCV-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
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'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
CID 63705816
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
CID 63726668
2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791814
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine
CID 63274496
N-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
methyl 2-(ethylamino)-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711958
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine
CID 106799877

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine (CID 63707835) is N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine is CN(CCCCCNC(C)(C)C)CC1CCCOC1.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine?
The InChIKey is IZMSCIKGKHJWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-16(2,3)17-10-6-5-7-11-18(4)13-15-9-8-12-19-14-15/h15,17H,5-14H2,1-4H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine?
N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 63707835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).