N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C14H30N2O — CID 114075327

IUPACN-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC1COCCC1NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)16(12(3)4)8-7-15-14-6-9-17-10-13(14)5/h11-15H,6-10H2,1-5H3
InChIKeyLWFGJKIFEQVWTA-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds6

About N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 114075327) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID114075327
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC1COCCC1NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)16(12(3)4)8-7-15-14-6-9-17-10-13(14)5/h11-15H,6-10H2,1-5H3
InChIKeyLWFGJKIFEQVWTA-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 65046367
N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43608333
N'-(3-methyloxan-4-yl)ethane-1,2-diamine
CID 130491324
3-methyl-N-propan-2-yloxan-4-amine
CID 71633062
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901356
(3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine
CID 99802194
N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63335601
2-[(3-methyloxan-4-yl)amino]acetamide
CID 130173773
N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901598
4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114240737
(3R,4S)-N-benzyl-3-methyloxan-4-amine
CID 121252774
N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43403677

Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 114075327) is N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC1COCCC1NCCN(C(C)C)C(C)C.
What is the InChIKey of N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is LWFGJKIFEQVWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)16(12(3)4)8-7-15-14-6-9-17-10-13(14)5/h11-15H,6-10H2,1-5H3.
What are the key properties of N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 114075327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).