1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine

C10H24N2O — CID 62477993

IUPAC1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCN(CC(N)CCOC)C(C)C
InChIInChI=1S/C10H24N2O/c1-5-12(9(2)3)8-10(11)6-7-13-4/h9-10H,5-8,11H2,1-4H3
InChIKeyRZJQMSLOGOPINT-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.08
Rot. Bonds7

About 1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine

1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 62477993) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID62477993
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCN(CC(N)CCOC)C(C)C
InChIInChI=1S/C10H24N2O/c1-5-12(9(2)3)8-10(11)6-7-13-4/h9-10H,5-8,11H2,1-4H3
InChIKeyRZJQMSLOGOPINT-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1-N-(2-methoxyethyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 82951400
1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine
CID 62475612
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62475448
(2R)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103934791
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
CID 81056203
3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine
CID 61448111
1-N-ethyl-1-N-(2-fluorophenyl)-4-methoxybutane-1,2-diamine
CID 62478003
1-ethoxy-5-methoxypentan-3-amine
CID 114997131
O-[1-[ethyl(propan-2-yl)amino]propan-2-yl]hydroxylamine
CID 177367192
2-ethyl-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82951118
3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 104881692
3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol
CID 64900510

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine (CID 62477993) is 1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine is CCN(CC(N)CCOC)C(C)C.
What is the InChIKey of 1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is RZJQMSLOGOPINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-5-12(9(2)3)8-10(11)6-7-13-4/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine?
1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 188.31 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 62477993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).