N,N-bis(2-methylpropylamino)ethanamine

C10H25N3 — CID 139805065

IUPACN,N-bis(2-methylpropylamino)ethanamine
SMILESCCN(NCC(C)C)NCC(C)C
InChIInChI=1S/C10H25N3/c1-6-13(11-7-9(2)3)12-8-10(4)5/h9-12H,6-8H2,1-5H3
InChIKeyQXETVVBQNLPFHT-UHFFFAOYSA-N
MW187.33 g/mol
LogP1.63
Rot. Bonds7

About N,N-bis(2-methylpropylamino)ethanamine

N,N-bis(2-methylpropylamino)ethanamine (PubChem CID 139805065) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is N,N-bis(2-methylpropylamino)ethanamine.

Molecular Properties

Compound NameN,N-bis(2-methylpropylamino)ethanamine
PubChem CID139805065
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC NameN,N-bis(2-methylpropylamino)ethanamine
SMILESCCN(NCC(C)C)NCC(C)C
InChIInChI=1S/C10H25N3/c1-6-13(11-7-9(2)3)12-8-10(4)5/h9-12H,6-8H2,1-5H3
InChIKeyQXETVVBQNLPFHT-UHFFFAOYSA-N
XLogP1.63
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropylamino)ethanamine?
The IUPAC name of N,N-bis(2-methylpropylamino)ethanamine (CID 139805065) is N,N-bis(2-methylpropylamino)ethanamine.
What is the SMILES notation for N,N-bis(2-methylpropylamino)ethanamine?
The canonical SMILES for N,N-bis(2-methylpropylamino)ethanamine is CCN(NCC(C)C)NCC(C)C.
What is the InChIKey of N,N-bis(2-methylpropylamino)ethanamine?
The InChIKey is QXETVVBQNLPFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c1-6-13(11-7-9(2)3)12-8-10(4)5/h9-12H,6-8H2,1-5H3.
What are the key properties of N,N-bis(2-methylpropylamino)ethanamine?
N,N-bis(2-methylpropylamino)ethanamine has a molecular weight of 187.33 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropylamino)ethanamine is sourced from PubChem (CID 139805065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).