N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine

C11H22N2 — CID 170405604

IUPACN-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine
SMILESCC/C=C(\C(C)=NN(C)C)C(C)C
InChIInChI=1S/C11H22N2/c1-7-8-11(9(2)3)10(4)12-13(5)6/h8-9H,7H2,1-6H3/b11-8-,12-10?
InChIKeyXNVREPVLCPGSDB-LZCVXSGJSA-N
MW182.31 g/mol
LogP2.92
Rot. Bonds4

About N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine

N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine (PubChem CID 170405604) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine
PubChem CID170405604
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine
SMILESCC/C=C(\C(C)=NN(C)C)C(C)C
InChIInChI=1S/C11H22N2/c1-7-8-11(9(2)3)10(4)12-13(5)6/h8-9H,7H2,1-6H3/b11-8-,12-10?
InChIKeyXNVREPVLCPGSDB-LZCVXSGJSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine (CID 170405604) is N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine is CC/C=C(\C(C)=NN(C)C)C(C)C.
What is the InChIKey of N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine?
The InChIKey is XNVREPVLCPGSDB-LZCVXSGJSA-N. The full InChI is InChI=1S/C11H22N2/c1-7-8-11(9(2)3)10(4)12-13(5)6/h8-9H,7H2,1-6H3/b11-8-,12-10?.
What are the key properties of N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine?
N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine has a molecular weight of 182.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine is sourced from PubChem (CID 170405604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).