N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine

C8H22N4 — CID 90860880

IUPACN-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine
SMILESCCNN(C(C)C)N(C)C(C)N
InChIInChI=1S/C8H22N4/c1-6-10-12(7(2)3)11(5)8(4)9/h7-8,10H,6,9H2,1-5H3
InChIKeyWIDODQRMXHZSIL-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.37
Rot. Bonds5

About N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine

N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine (PubChem CID 90860880) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine.

Molecular Properties

Compound NameN-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine
PubChem CID90860880
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC NameN-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine
SMILESCCNN(C(C)C)N(C)C(C)N
InChIInChI=1S/C8H22N4/c1-6-10-12(7(2)3)11(5)8(4)9/h7-8,10H,6,9H2,1-5H3
InChIKeyWIDODQRMXHZSIL-UHFFFAOYSA-N
XLogP0.37
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 547475
CID 547475
CID 129731696
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CID 76764099
CID 76764099
CID 21311069
CID 21311069
CID 57263378
CID 57263378
CID 87568265
CID 87568265
CID 118916520
CID 118916520
CID 118974696
CID 118974696
CID 118974829
CID 118974829
CID 118974931
CID 118974931
CID 123171358
CID 123171358
CID 123347840
CID 123347840

Frequently Asked Questions

What is the IUPAC name of N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine?
The IUPAC name of N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine (CID 90860880) is N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine.
What is the SMILES notation for N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine?
The canonical SMILES for N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine is CCNN(C(C)C)N(C)C(C)N.
What is the InChIKey of N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine?
The InChIKey is WIDODQRMXHZSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c1-6-10-12(7(2)3)11(5)8(4)9/h7-8,10H,6,9H2,1-5H3.
What are the key properties of N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine?
N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine has a molecular weight of 174.29 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-aminoethyl(methyl)amino]-N-(ethylamino)propan-2-amine is sourced from PubChem (CID 90860880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).