[amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium

C19H48N7+ — CID 154033718

IUPAC[amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium
SMILESCCCN(CCC)C(C)(N(CC)CC)[N+](C)(NCC)C(N)(NC)N(C)C
InChIInChI=1S/C19H48N7/c1-11-16-25(17-12-2)18(6,24(14-4)15-5)26(10,22-13-3)19(20,21-7)23(8)9/h21-22H,11-17,20H2,1-10H3/q+1
InChIKeyBSPLXBLSJIFORS-UHFFFAOYSA-N
MW374.64 g/mol
LogP1.45
Rot. Bonds14

About [amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium

[amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium (PubChem CID 154033718) has the molecular formula C19H48N7+ and a molecular weight of 374.64 g/mol. Its IUPAC name is [amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium.

Molecular Properties

Compound Name[amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium
PubChem CID154033718
Molecular FormulaC19H48N7+
Molecular Weight374.64 g/mol
Exact Mass374.40
IUPAC Name[amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium
SMILESCCCN(CCC)C(C)(N(CC)CC)[N+](C)(NCC)C(N)(NC)N(C)C
InChIInChI=1S/C19H48N7/c1-11-16-25(17-12-2)18(6,24(14-4)15-5)26(10,22-13-3)19(20,21-7)23(8)9/h21-22H,11-17,20H2,1-10H3/q+1
InChIKeyBSPLXBLSJIFORS-UHFFFAOYSA-N
XLogP1.45
TPSA59.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium?
The IUPAC name of [amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium (CID 154033718) is [amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium.
What is the SMILES notation for [amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium?
The canonical SMILES for [amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium is CCCN(CCC)C(C)(N(CC)CC)[N+](C)(NCC)C(N)(NC)N(C)C.
What is the InChIKey of [amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium?
The InChIKey is BSPLXBLSJIFORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H48N7/c1-11-16-25(17-12-2)18(6,24(14-4)15-5)26(10,22-13-3)19(20,21-7)23(8)9/h21-22H,11-17,20H2,1-10H3/q+1.
What are the key properties of [amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium?
[amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium has a molecular weight of 374.64 g/mol, XLogP of 1.45, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(dimethylamino)-(methylamino)methyl]-[1-(diethylamino)-1-(dipropylamino)ethyl]-(ethylamino)-methylazanium is sourced from PubChem (CID 154033718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).