2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine

C19H43N3O — CID 134502931

IUPAC2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine
SMILESCNCCC(C)(C)OCCC(C)(C)NC(C)(C)CC(C)(C)NC
InChIInChI=1S/C19H43N3O/c1-16(2,12-14-23-19(7,8)11-13-20-9)22-18(5,6)15-17(3,4)21-10/h20-22H,11-15H2,1-10H3
InChIKeyNMVCXNANFYBLAO-UHFFFAOYSA-N
MW329.57 g/mol
LogP3.32
Rot. Bonds12

About 2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine

2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine (PubChem CID 134502931) has the molecular formula C19H43N3O and a molecular weight of 329.57 g/mol. Its IUPAC name is 2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine.

Molecular Properties

Compound Name2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine
PubChem CID134502931
Molecular FormulaC19H43N3O
Molecular Weight329.57 g/mol
Exact Mass329.34
IUPAC Name2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine
SMILESCNCCC(C)(C)OCCC(C)(C)NC(C)(C)CC(C)(C)NC
InChIInChI=1S/C19H43N3O/c1-16(2,12-14-23-19(7,8)11-13-20-9)22-18(5,6)15-17(3,4)21-10/h20-22H,11-15H2,1-10H3
InChIKeyNMVCXNANFYBLAO-UHFFFAOYSA-N
XLogP3.32
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine?
The IUPAC name of 2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine (CID 134502931) is 2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine.
What is the SMILES notation for 2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine?
The canonical SMILES for 2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine is CNCCC(C)(C)OCCC(C)(C)NC(C)(C)CC(C)(C)NC.
What is the InChIKey of 2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine?
The InChIKey is NMVCXNANFYBLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3O/c1-16(2,12-14-23-19(7,8)11-13-20-9)22-18(5,6)15-17(3,4)21-10/h20-22H,11-15H2,1-10H3.
What are the key properties of 2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine?
2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine has a molecular weight of 329.57 g/mol, XLogP of 3.32, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine is sourced from PubChem (CID 134502931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).